Geometry & MOs

Info

ID:	236665
PubChem CID:	92714381
Reduced:	ON3H21C22 (1)
Stoich.:	AB3C21D22 (1)
Weight, g/mol:	343.168462
ΔH_f, kcal/mol:	36.03
Dipole, Da:	1.21
IP(EA), eV:	-8.52(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)N[C@H]2C3=C(C=CC=N3)C(=O)N2CC4=CC=CC=C4

DOS

IR

Vibrations