Geometry & MOs

Info

ID:	236696
PubChem CID:	92714463
Reduced:	ClON3H16C20 (1)
Stoich.:	ABC3D16E20 (1)
Weight, g/mol:	349.09819
ΔH_f, kcal/mol:	41.58
Dipole, Da:	2.66
IP(EA), eV:	-8.63(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7S)-7-(3-chloroanilino)-6-(4-methylphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2[C@@H](C3=C(C2=O)C=CC=N3)NC4=CC=CC=C4Cl

DOS

IR

Vibrations