Geometry & MOs

Info

ID:	71427
PubChem CID:	48414843
Reduced:	ClON2C16H19 (1)
Stoich.:	ABC2D16E19 (1)
Weight, g/mol:	306.113506
ΔH_f, kcal/mol:	19.69
Dipole, Da:	2.66
IP(EA), eV:	-9.07(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-but-3-ynylpiperazin-1-yl)-2-(4-chlorophenoxy)ethanone

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)CC2=CC=C(C=C2)Cl

DOS

IR

Vibrations