Geometry & MOs

Info

ID:	236689
PubChem CID:	92714428
Reduced:	OF2N3H15C20 (1)
Stoich.:	AB2C3D15E20 (1)
Weight, g/mol:	329.152812
ΔH_f, kcal/mol:	-37.36
Dipole, Da:	2.17
IP(EA), eV:	-8.95(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7S)-6-benzyl-7-(3-methylanilino)-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=C(C=CC(=C4)F)F

DOS

IR

Vibrations