Geometry & MOs

Info

ID:	71426
PubChem CID:	48414841
Reduced:	ON2C21H22 (1)
Stoich.:	AB2C21D22 (1)
Weight, g/mol:	290.118591
ΔH_f, kcal/mol:	62.47
Dipole, Da:	4.01
IP(EA), eV:	-8.88(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-but-3-ynylpiperazin-1-yl)-2-(4-chlorophenyl)ethanone

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)C2=CC=C(C=C2)C3=CC=CC=C3

DOS

IR

Vibrations