Geometry & MOs

Info

ID:	15893
PubChem CID:	454647
Reduced:	NOH7C9 (3)
Stoich.:	ABC7D9 (3)
Weight, g/mol:	435.158292
ΔH_f, kcal/mol:	58.04
Dipole, Da:	4.94
IP(EA), eV:	-9.02(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-nitrophenyl)methyl]-1-phenyl-3-(pyridin-4-ylmethyl)indol-2-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=CC=CC=C3C(C2=O)(CC4=CC=C(C=C4)[N+](=O)[O-])CC5=CC=NC=C5

DOS

IR

Vibrations