Geometry & MOs

Info

ID:	66028
PubChem CID:	46488168
Reduced:	IN2O4H15C21 (1)
Stoich.:	AB2C4D15E21 (1)
Weight, g/mol:	394.150427
ΔH_f, kcal/mol:	-53.5
Dipole, Da:	6.51
IP(EA), eV:	-8.37(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[4-(trifluoromethoxy)phenyl]ethanone

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)NC(=O)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4I

DOS

IR

Vibrations