Geometry & MOs

Info

ID:	71711
PubChem CID:	48415245
Reduced:	OCl2N2C17H20 (1)
Stoich.:	AB2C2D17E20 (1)
Weight, g/mol:	316.178693
ΔH_f, kcal/mol:	8.55
Dipole, Da:	3.46
IP(EA), eV:	-8.96(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-but-3-ynylpiperazin-1-yl)-2-[(3-methoxyphenyl)methoxy]ethanone

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)CCC2=C(C(=CC=C2)Cl)Cl

DOS

IR

Vibrations