Geometry & MOs

Info

ID:	76730
PubChem CID:	48425295
Reduced:	ClN2O3F4C17H21 (1)
Stoich.:	AB2C3D4E17F21 (1)
Weight, g/mol:	388.177391
ΔH_f, kcal/mol:	-311.09
Dipole, Da:	6.55
IP(EA), eV:	-9.1(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCN1CCCOCC(F)(F)F)C(=O)COC2=CC(=C(C=C2)F)Cl

DOS

IR

Vibrations