Geometry & MOs

Info

ID:	378542
PubChem CID:	134224631
Reduced:	NO4C12H14 (2)
Stoich.:	AB4C12D14 (2)
Weight, g/mol:	598.204513
ΔH_f, kcal/mol:	-262.56
Dipole, Da:	2.83
IP(EA), eV:	-8.92(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

20-(7-phenylbenzo[c]carbazol-10-yl)-12-oxa-16-azahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17(22),18,20-undecaene

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

CNC[C@@H]1C2=C(C=CC3=C2OC(O3)CNC[C@H]4C5=C(C=CC6=C5OCO6)[C@H](CO4)O)[C@@H](CO1)O

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

CNC[C@@H]1C2=C(C=CC3=C2OC(O3)CNC[C@H]4C5=C(C=CC6=C5OCO6)[C@H](CO4)O)[C@@H](CO1)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):