Geometry & MOs

Info

ID:	236670
PubChem CID:	92714390
Reduced:	ClON3H18C21 (1)
Stoich.:	ABC3D18E21 (1)
Weight, g/mol:	343.168462
ΔH_f, kcal/mol:	37.33
Dipole, Da:	3.78
IP(EA), eV:	-8.47(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7S)-6-benzyl-7-(3,5-dimethylanilino)-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)N2CC4=CC=CC=C4)Cl

DOS

IR

Vibrations