Geometry & MOs

Info

ID:	236568
PubChem CID:	92714045
Reduced:	N3O3H21C22 (1)
Stoich.:	A3B3C21D22 (1)
Weight, g/mol:	389.173942
ΔH_f, kcal/mol:	-21.42
Dipole, Da:	1.85
IP(EA), eV:	-8.34(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7S)-6-(2,5-dimethoxyphenyl)-7-(2,4-dimethylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N[C@@H]2C3=C(C=CC=N3)C(=O)N2C4=C(C=CC(=C4)OC)OC

DOS

IR

Vibrations