Geometry & MOs

Info

ID:	260571
PubChem CID:	103195662
Reduced:	ON3C13H17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	291.138305
ΔH_f, kcal/mol:	-14.27
Dipole, Da:	2.39
IP(EA), eV:	-9.37(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-fluorophenyl)-2-(5-oxo-2,3,4,4a,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridin-6-yl)acetamide

Drug info:

PubChemData

Smile

C1CC2C(CN(C2=O)CC3=CC=CC=N3)NC1

DOS

IR

Vibrations