Geometry & MOs

Info

ID:	139775
PubChem CID:	52593776
Reduced:	ON2C20H24 (1)
Stoich.:	AB2C20D24 (1)
Weight, g/mol:	428.112996
ΔH_f, kcal/mol:	-20.5
Dipole, Da:	3.21
IP(EA), eV:	-8.39(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methylsulfonylphenyl)-4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CCCN(CC1=CC=CC=C1)C(=O)NC2=CC3=C(CCC3)C=C2

DOS

IR

Vibrations