Geometry & MOs

Info

ID:	1241
PubChem CID:	4034
Reduced:	ClN2C25H27 (1)
Stoich.:	AB2C25D27 (1)
Weight, g/mol:	390.186277
ΔH_f, kcal/mol:	62.81
Dipole, Da:	3.37
IP(EA), eV:	-8.8(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-chlorophenyl)-phenylmethyl]-4-[(3-methylphenyl)methyl]piperazine

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations