Geometry & MOs

Info

ID:	71499
PubChem CID:	48414961
Reduced:	NOC11H11 (2)
Stoich.:	ABC11D11 (2)
Weight, g/mol:	334.144806
ΔH_f, kcal/mol:	28.64
Dipole, Da:	3.28
IP(EA), eV:	-8.81(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(OC2=C1C=CC3=CC=CC=C32)C(=O)N4CCN(CC4)CCC#C

DOS

IR

Vibrations