Geometry & MOs

Info

ID:	298123
PubChem CID:	117647637
Reduced:	ON7C17H17 (1)
Stoich.:	AB7C17D17 (1)
Weight, g/mol:	617.37029
ΔH_f, kcal/mol:	90.6
Dipole, Da:	4.31
IP(EA), eV:	-8.54(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(E)-3-[3-[3-[3,5-bis[(E)-3-(diaminomethylideneamino)prop-1-enyl]phenyl]phenyl]-5-[(E)-3-(diaminomethylideneamino)prop-1-enyl]phenyl]prop-2-enyl]ethanimidamide

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

C=C(N)NC1=CC=C(C=C1)C2=NN=C(O2)C3=CC=C(C=C3)N=C(N)N

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

C=C(N)NC1=CC=C(C=C1)C2=NN=C(O2)C3=CC=C(C=C3)N=C(N)N

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):