Geometry & MOs

Info

ID:	76662
PubChem CID:	48425209
Reduced:	ClO2F3N3C15H21 (1)
Stoich.:	AB2C3D3E15F21 (1)
Weight, g/mol:	412.143234
ΔH_f, kcal/mol:	-228.85
Dipole, Da:	4.17
IP(EA), eV:	-9.01(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C=C1C(=O)N2CCN(CC2)CCCOCC(F)(F)F)Cl

DOS

IR

Vibrations