Geometry & MOs

Info

ID:	11485
PubChem CID:	116154
Reduced:	ClN2O5C24H33 (1)
Stoich.:	AB2C5D24E33 (1)
Weight, g/mol:	464.2078
ΔH_f, kcal/mol:	-184.02
Dipole, Da:	5.63
IP(EA), eV:	-8.14(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-phenylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)pent-1-en-3-one;hydrate;hydrochloride

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C=CC(=O)CCN2CCN(CC2)C3=CC=CC=C3.O.Cl

DOS

IR

Vibrations