Geometry & MOs

Info

ID:	123163
PubChem CID:	50835947
Reduced:	FON2H10C11 (2)
Stoich.:	ABC2D10E11 (2)
Weight, g/mol:	416.221226
ΔH_f, kcal/mol:	-79.73
Dipole, Da:	3.42
IP(EA), eV:	-8.66(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(CN(C1)C2=NC=CN=C2OC3=CC=CC=C3)C(=O)NC4=CC(=CC(=C4)F)F

DOS

IR

Vibrations