Geometry & MOs

Info

ID:	236688
PubChem CID:	92714424
Reduced:	ON3H21C22 (1)
Stoich.:	AB3C21D22 (1)
Weight, g/mol:	351.118318
ΔH_f, kcal/mol:	40.62
Dipole, Da:	2.7
IP(EA), eV:	-8.74(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)N[C@@H]2C3=C(C=CC=N3)C(=O)N2CC4=CC=CC=C4)C

DOS

IR

Vibrations