Geometry & MOs

Info

ID:	436773
PubChem CID:	135211334
Reduced:	ON2H20C21 (1)
Stoich.:	AB2C20D21 (1)
Weight, g/mol:	599.20087
ΔH_f, kcal/mol:	47.12
Dipole, Da:	4.68
IP(EA), eV:	-9.37(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-ethyl-3-iodo-6,6-dimethyl-8-[methyl(3-morpholin-4-ylpentyl)amino]-5H-benzo[b]carbazol-11-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C(=O)CC3=C(C=C(C=C3)C#N)NC(=C)C2(C)C

DOS

IR

Vibrations