Geometry & MOs

Info

ID:	123164
PubChem CID:	50835994
Reduced:	O2N4C25H28 (1)
Stoich.:	A2B4C25D28 (1)
Weight, g/mol:	406.180504
ΔH_f, kcal/mol:	-5.66
Dipole, Da:	2.99
IP(EA), eV:	-8.53(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-fluorophenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)C2CCCN(C2)C3=NC=CN=C3OC4=CC=C(C=C4)C

DOS

IR

Vibrations