Geometry & MOs

Info

ID:	429401
PubChem CID:	135169424
Reduced:	N3H21C34 (1)
Stoich.:	A3B21C34 (1)
Weight, g/mol:	501.139865
ΔH_f, kcal/mol:	196.4
Dipole, Da:	1.37
IP(EA), eV:	-8.5(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4b-methyl-9-phenyl-8aH-carbazol-3-yl)-10,10-dioxothioxanthen-9-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(C3=CC=CC=C32)CC4=CC(=C(C=C4C#N)N5C6=CC=CC=C6C7=CC=CC=C75)C#N

DOS

IR

Vibrations