Geometry & MOs

Info

ID:	22384
PubChem CID:	597099
Reduced:	ClON2F3H16C18 (1)
Stoich.:	ABC2D3E16F18 (1)
Weight, g/mol:	368.090325
ΔH_f, kcal/mol:	-156.44
Dipole, Da:	1.56
IP(EA), eV:	-8.6(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(4-chlorophenyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=C(C=C2)Cl)C(=O)C3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations