Geometry & MOs

Info

ID:	15264
PubChem CID:	435450
Reduced:	ClON2C15H19 (1)
Stoich.:	ABC2D15E19 (1)
Weight, g/mol:	278.118591
ΔH_f, kcal/mol:	-13.63
Dipole, Da:	3.16
IP(EA), eV:	-8.98(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CN(CCN1CC=CC2=CC=CC=C2)C(=O)CCl

DOS

IR

Vibrations