Geometry & MOs

Info

ID:	403671
PubChem CID:	135061233
Reduced:	O3N4C27H34 (1)
Stoich.:	A3B4C27D34 (1)
Weight, g/mol:	252.126263
ΔH_f, kcal/mol:	-44.9
Dipole, Da:	3.51
IP(EA), eV:	-9.07(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dimethyl-3-(4-methylphenyl)pyrrolo[2,3-c]pyridin-2-one

Drug info:

PubChemData

Smile

CC(C)(C)O/C(=C(/C(C1CCCCC1)N(CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3)\[N+]#N)/[O-]

DOS

IR

Vibrations