Geometry & MOs

Info

ID:	351828
PubChem CID:	127282228
Reduced:	O3N4C17H26 (1)
Stoich.:	A3B4C17D26 (1)
Weight, g/mol:	398.192961
ΔH_f, kcal/mol:	-87.51
Dipole, Da:	1.85
IP(EA), eV:	-9.08(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-2-[4-[5-(trifluoromethyl)pyridine-2-carbonyl]piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC1=CC(=NO1)C(=O)N2CCN(CC2)C(C)C(=O)NC3CCCC3

DOS

IR

Vibrations