Geometry & MOs

Info

ID:	172582
PubChem CID:	75527223
Reduced:	ON4C21H22 (1)
Stoich.:	AB4C21D22 (1)
Weight, g/mol:	372.08116
ΔH_f, kcal/mol:	46.25
Dipole, Da:	5.62
IP(EA), eV:	-8.4(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]-thiophen-3-ylmethanone

Drug info:

PubChemData

Smile

C1CN(CCN1C2=NNC(=C2)C3=CC=CC=C3)C(=O)CC4=CC=CC=C4

DOS

IR

Vibrations