Geometry & MOs

Info

ID:	172584
PubChem CID:	75527302
Reduced:	ClON4C22H23 (1)
Stoich.:	ABC4D22E23 (1)
Weight, g/mol:	402.091725
ΔH_f, kcal/mol:	24.26
Dipole, Da:	4.3
IP(EA), eV:	-8.5(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenoxy)-1-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(=O)N2CCN(CC2)C3=NNC(=C3)C4=CC=C(C=C4)Cl)C

DOS

IR

Vibrations