Geometry & MOs

Info

ID:	236655
PubChem CID:	92714354
Reduced:	O2N3H19C21 (1)
Stoich.:	A2B3C19D21 (1)
Weight, g/mol:	358.142976
ΔH_f, kcal/mol:	11.16
Dipole, Da:	1.77
IP(EA), eV:	-8.71(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(7S)-6-benzyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]benzamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)N[C@@H]2C3=C(C=CC=N3)C(=O)N2CC4=CC=CC=C4

DOS

IR

Vibrations