Geometry & MOs

Info

ID:	236672
PubChem CID:	92714395
Reduced:	O2N3H19C22 (1)
Stoich.:	A2B3C19D22 (1)
Weight, g/mol:	374.13789
ΔH_f, kcal/mol:	14.41
Dipole, Da:	1.83
IP(EA), eV:	-8.78(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations