Geometry & MOs

Info

ID:	238597
PubChem CID:	92763344
Reduced:	ON2C7H18 (1)
Stoich.:	AB2C7D18 (1)
Weight, g/mol:	400.191756
ΔH_f, kcal/mol:	-66.88
Dipole, Da:	3.3
IP(EA), eV:	-8.54(2.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-3-[4-[(1R)-1-ethoxy-2-phenylethyl]piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CCN(CC)[C@](C)(CN)O

DOS

IR

Vibrations