Geometry & MOs

Info

ID:	56387
PubChem CID:	17425280
Reduced:	SN3O3H19C20 (1)
Stoich.:	AB3C3D19E20 (1)
Weight, g/mol:	478.149718
ΔH_f, kcal/mol:	-39.25
Dipole, Da:	11.04
IP(EA), eV:	-8.79(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(4-acetylphenyl)piperazin-1-yl]-1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC=CN2C3=CC=C(C=C3)OC

DOS

IR

Vibrations