Geometry & MOs

Info

ID:	236695
PubChem CID:	92714458
Reduced:	O2N4H18C21 (1)
Stoich.:	A2B4C18D21 (1)
Weight, g/mol:	349.09819
ΔH_f, kcal/mol:	7.74
Dipole, Da:	4.82
IP(EA), eV:	-8.69(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7S)-7-(2-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=C4C(=O)N

DOS

IR

Vibrations