Geometry & MOs

Info

ID:	71769
PubChem CID:	48415356
Reduced:	N2O2C17H20 (1)
Stoich.:	A2B2C17D20 (1)
Weight, g/mol:	320.129156
ΔH_f, kcal/mol:	-5.0
Dipole, Da:	3.58
IP(EA), eV:	-8.77(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)C2=CC3=C(C=C2)OCC3

DOS

IR

Vibrations