Geometry & MOs

Info

ID:	236677
PubChem CID:	92714404
Reduced:	ON4H16C21 (1)
Stoich.:	AB4C16D21 (1)
Weight, g/mol:	351.118318
ΔH_f, kcal/mol:	86.79
Dipole, Da:	3.3
IP(EA), eV:	-8.98(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2[C@@H](C3=C(C2=O)C=CC=N3)NC4=CC=CC(=C4)C#N

DOS

IR

Vibrations