Geometry & MOs

Info

ID:	349104
PubChem CID:	127274830
Reduced:	SN2O2C15H24 (1)
Stoich.:	AB2C2D15E24 (1)
Weight, g/mol:	348.252526
ΔH_f, kcal/mol:	-94.37
Dipole, Da:	5.12
IP(EA), eV:	-9.06(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-2-(3,3,5-trimethylcyclohexyl)ethanone

Drug info:

PubChemData

Smile

C1CCC(CC1)(C#N)NC(=O)CSCC2CCCCO2

DOS

IR

Vibrations