Geometry & MOs

Info

ID:	236671
PubChem CID:	92714394
Reduced:	ON3H21C22 (1)
Stoich.:	AB3C21D22 (1)
Weight, g/mol:	357.147727
ΔH_f, kcal/mol:	33.84
Dipole, Da:	2.66
IP(EA), eV:	-8.48(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7R)-7-(3-acetylanilino)-6-benzyl-7H-pyrrolo[3,4-b]pyridin-5-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations