Geometry & MOs

Info

ID:	71613
PubChem CID:	48415112
Reduced:	ON2C13H22 (1)
Stoich.:	AB2C13D22 (1)
Weight, g/mol:	276.102941
ΔH_f, kcal/mol:	-13.4
Dipole, Da:	3.34
IP(EA), eV:	-8.83(0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-(4-chlorophenyl)methanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations