Geometry & MOs

Info

ID:	236731
PubChem CID:	92714601
Reduced:	ON3H19C21 (1)
Stoich.:	AB3C19D21 (1)
Weight, g/mol:	329.152812
ΔH_f, kcal/mol:	40.7
Dipole, Da:	1.53
IP(EA), eV:	-8.55(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N[C@H]2C3=C(C=CC=N3)C(=O)N2C4=CC=CC=C4)C

DOS

IR

Vibrations