Geometry & MOs

Info

ID:	236668
PubChem CID:	92714386
Reduced:	N3O3H21C23 (1)
Stoich.:	A3B3C21D23 (1)
Weight, g/mol:	363.11384
ΔH_f, kcal/mol:	-40.42
Dipole, Da:	3.91
IP(EA), eV:	-8.98(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7R)-6-benzyl-7-(2-chloro-4-methylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations