Geometry & MOs

Info

ID:	236534
PubChem CID:	92713817
Reduced:	ClN3O4H20C22 (1)
Stoich.:	AB3C4D20E22 (1)
Weight, g/mol:	399.054132
ΔH_f, kcal/mol:	-67.91
Dipole, Da:	1.44
IP(EA), eV:	-8.5(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)N2[C@@H](C3=C(C2=O)C=CC=N3)NC4=CC(=C(C=C4OC)OC)Cl

DOS

IR

Vibrations