Geometry & MOs

Info

ID:	347249
PubChem CID:	127271790
Reduced:	ON4C20H34 (1)
Stoich.:	AB4C20D34 (1)
Weight, g/mol:	394.203862
ΔH_f, kcal/mol:	-46.91
Dipole, Da:	6.75
IP(EA), eV:	-8.63(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-cyclohexyl-1-methylpyrazol-4-yl)-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)C2CCCCC2)C(=O)NCCN(C)C3CCCCC3

DOS

IR

Vibrations