Geometry & MOs

Info

ID:	71153
PubChem CID:	48414366
Reduced:	ON2C13H22 (1)
Stoich.:	AB2C13D22 (1)
Weight, g/mol:	304.134241
ΔH_f, kcal/mol:	-13.59
Dipole, Da:	3.13
IP(EA), eV:	-8.79(1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-but-3-ynylpiperazin-1-yl)-3-(2-chlorophenyl)propan-1-one

Drug info:

PubChemData

Smile

CCC(C)C(=O)N1CCN(CC1)CCC#C

DOS

IR

Vibrations