Geometry & MOs

Info

ID:	236686
PubChem CID:	92714418
Reduced:	ON2H10C11 (2)
Stoich.:	AB2C10D11 (2)
Weight, g/mol:	333.12774
ΔH_f, kcal/mol:	4.94
Dipole, Da:	3.64
IP(EA), eV:	-8.24(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)N[C@@H]2C3=C(C=CC=N3)C(=O)N2CC4=CC=CC=C4

DOS

IR

Vibrations