Geometry & MOs

Info

ID:	236687
PubChem CID:	92714420
Reduced:	FON3H16C20 (1)
Stoich.:	ABC3D16E20 (1)
Weight, g/mol:	343.168462
ΔH_f, kcal/mol:	5.93
Dipole, Da:	2.87
IP(EA), eV:	-8.84(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7S)-6-benzyl-7-(2,3-dimethylanilino)-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)F

DOS

IR

Vibrations