Geometry & MOs

Info

ID:	236693
PubChem CID:	92714450
Reduced:	N3O3H21C22 (1)
Stoich.:	A3B3C21D22 (1)
Weight, g/mol:	345.147727
ΔH_f, kcal/mol:	-23.22
Dipole, Da:	2.19
IP(EA), eV:	-7.89(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7S)-7-(2-methoxyanilino)-6-(4-methylphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2[C@H](C3=C(C2=O)C=CC=N3)NC4=CC(=C(C=C4)OC)OC

DOS

IR

Vibrations