Geometry & MOs

Info

ID:	151752
PubChem CID:	56310477
Reduced:	SN3O4C23H31 (1)
Stoich.:	AB3C4D23E31 (1)
Weight, g/mol:	374.210661
ΔH_f, kcal/mol:	-124.32
Dipole, Da:	8.15
IP(EA), eV:	-8.6(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylphenyl)-1-[4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCC(CC)NC(=O)C1CN(C2=CC=CC=C2O1)CC3=CC(=CC=C3)S(=O)(=O)N(C)C

DOS

IR

Vibrations