Geometry & MOs

Info

ID:	328217
PubChem CID:	126697697
Reduced:	BrNCl2O3H14C18 (1)
Stoich.:	ABC2D3E14F18 (1)
Weight, g/mol:	455.122354
ΔH_f, kcal/mol:	-70.01
Dipole, Da:	1.46
IP(EA), eV:	-9.06(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-chlorophenyl)-4-oxo-3-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]butanamide

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1Cl)NC=C2C(=O)C(C3=C(C=C(C=C3)Cl)OCCO)Br

DOS

IR

Vibrations