Geometry & MOs

Info

ID:	325211
PubChem CID:	126681981
Reduced:	ClN3O3H7C11 (1)
Stoich.:	AB3C3D7E11 (1)
Weight, g/mol:	632.41305
ΔH_f, kcal/mol:	-13.23
Dipole, Da:	2.1
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.200470
Charge, e:	0

Chem-info

IUPAC name:

1,2,3,4,5,6,7,8-octamethyl-9-[4-(1,2,4,5,6,7,8,9-octamethylcarbazol-3-yl)phenyl]carbazole

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1Cl)C=C3C(N2[O-])C(=O)NNC3=O

DOS

IR

Vibrations