Geometry & MOs

Info

ID:	71626
PubChem CID:	48415129
Reduced:	N2O4C21H30 (1)
Stoich.:	A2B4C21D30 (1)
Weight, g/mol:	354.090183
ΔH_f, kcal/mol:	-96.34
Dipole, Da:	3.83
IP(EA), eV:	-8.75(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N2CCN(CC2)CCC#C

DOS

IR

Vibrations