Geometry & MOs

Info

ID:	236694
PubChem CID:	92714457
Reduced:	O2N3H19C21 (1)
Stoich.:	A2B3C19D21 (1)
Weight, g/mol:	358.142976
ΔH_f, kcal/mol:	11.62
Dipole, Da:	2.06
IP(EA), eV:	-8.43(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2[C@@H](C3=C(C2=O)C=CC=N3)NC4=CC=CC=C4OC

DOS

IR

Vibrations