Geometry & MOs

Info

ID:	123045
PubChem CID:	50831323
Reduced:	FO3N4C20H21 (1)
Stoich.:	AB3C4D20E21 (1)
Weight, g/mol:	382.191738
ΔH_f, kcal/mol:	-123.3
Dipole, Da:	2.82
IP(EA), eV:	-9.04(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-fluorophenyl)-4-[2-(2-methylimidazo[4,5-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CN(C(=O)CN1C(=O)NC2=CC=CC=C2)CC(=O)NCC3=CC=C(C=C3)F

DOS

IR

Vibrations