Geometry & MOs

Info

ID:	348943
PubChem CID:	127274668
Reduced:	SN2O4C20H24 (1)
Stoich.:	AB2C4D20E24 (1)
Weight, g/mol:	294.230728
ΔH_f, kcal/mol:	-107.17
Dipole, Da:	6.03
IP(EA), eV:	-8.62(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-acetylpiperazin-1-yl)-2-(3,3,5-trimethylcyclohexyl)ethanone

Drug info:

PubChemData

Smile

CCCN1CC2=C(C1)C(=CC=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

DOS

IR

Vibrations