Geometry & MOs

Info

ID:	410027
PubChem CID:	135082816
Reduced:	ON8C17H18 (1)
Stoich.:	AB8C17D18 (1)
Weight, g/mol:	974.343722
ΔH_f, kcal/mol:	140.94
Dipole, Da:	4.12
IP(EA), eV:	-9.23(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[16-[2-bis[4-(dimethylamino)phenyl]phosphorylethyl]-13-chloro-12,14-dioxa-13-aluminapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl]ethyl-[4-(dimethylamino)phenyl]phosphoryl]-N,N-dimethylaniline

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CN(CN1N=C2C=CC=CC2=N1)C(=O)N(C)CN3N=C4C=CC=CC4=N3

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CN(CN1N=C2C=CC=CC2=N1)C(=O)N(C)CN3N=C4C=CC=CC4=N3

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):