Geometry & MOs

Info

ID:	76583
PubChem CID:	48425116
Reduced:	FNOC5H8 (3)
Stoich.:	ABCD5E8 (3)
Weight, g/mol:	414.213027
ΔH_f, kcal/mol:	-297.22
Dipole, Da:	4.58
IP(EA), eV:	-9.01(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-cyclopentyloxyphenyl)-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CN1CC(CC1=O)C(=O)N2CCN(CC2)CCCOCC(F)(F)F

DOS

IR

Vibrations