Geometry & MOs

Info

ID:	81761
PubChem CID:	49855113
Reduced:	N3O3C19H21 (1)
Stoich.:	A3B3C19D21 (1)
Weight, g/mol:	356.188863
ΔH_f, kcal/mol:	-10.65
Dipole, Da:	5.36
IP(EA), eV:	-8.24(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-[benzyl(methyl)amino]phenyl]methyl]-3-methyl-1H-indol-2-one

Drug info:

PubChemData

Smile

CC1(C2=C(C=CC(=C2)[N+](=O)[O-])N(C1=O)C)CC3=CC=C(C=C3)N(C)C

DOS

IR

Vibrations