Geometry & MOs

Info

ID:	7224
PubChem CID:	71623
Reduced:	ClN2C26H27 (1)
Stoich.:	AB2C26D27 (1)
Weight, g/mol:	402.186277
ΔH_f, kcal/mol:	83.6
Dipole, Da:	2.35
IP(EA), eV:	-8.83(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-chlorophenyl)-phenylmethyl]-4-(3-phenylprop-2-enyl)piperazine

Drug info:

PubChemData

Smile

C1CN(CCN1CC=CC2=CC=CC=C2)C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations