Geometry & MOs

Info

ID:	11483
PubChem CID:	116149
Reduced:	ClN2O2C19H23 (1)
Stoich.:	AB2C2D19E23 (1)
Weight, g/mol:	346.144806
ΔH_f, kcal/mol:	-31.57
Dipole, Da:	3.21
IP(EA), eV:	-8.3(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CN2CCN(CC2)C3=CC(=CC=C3)Cl)OC

DOS

IR

Vibrations