Geometry & MOs

Info

ID:	7047
PubChem CID:	71066
Reduced:	ClN2O2C20H25 (1)
Stoich.:	AB2C2D20E25 (1)
Weight, g/mol:	360.160456
ΔH_f, kcal/mol:	-39.15
Dipole, Da:	5.09
IP(EA), eV:	-8.35(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chlorophenyl)-4-[2-(3,4-dimethoxyphenyl)ethyl]piperazine

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CCN2CCN(CC2)C3=CC(=CC=C3)Cl)OC

DOS

IR

Vibrations