Geometry & MOs

Info

ID:	348052
PubChem CID:	127273114
Reduced:	SO2N5C19H25 (1)
Stoich.:	AB2C5D19E25 (1)
Weight, g/mol:	372.17731
ΔH_f, kcal/mol:	-21.18
Dipole, Da:	8.35
IP(EA), eV:	-8.59(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-cyclopentyloxypyridin-3-yl)-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)OC2=NC=C(C=C2)NC(=O)N3CCCN(CC3)C4=NC=CS4

DOS

IR

Vibrations