Geometry & MOs

Info

ID:	71433
PubChem CID:	48414851
Reduced:	ON4C14H18 (1)
Stoich.:	AB4C14D18 (1)
Weight, g/mol:	334.144806
ΔH_f, kcal/mol:	56.1
Dipole, Da:	4.98
IP(EA), eV:	-9.05(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-but-3-ynylpiperazin-1-yl)-2-(4-chlorophenoxy)-2-methylpropan-1-one

Drug info:

PubChemData

Smile

CC1=CN=C(C=N1)C(=O)N2CCN(CC2)CCC#C

DOS

IR

Vibrations