Geometry & MOs

Info

ID:	347168
PubChem CID:	127271709
Reduced:	SN2O2C8H11 (2)
Stoich.:	AB2C2D8E11 (2)
Weight, g/mol:	275.199762
ΔH_f, kcal/mol:	-106.6
Dipole, Da:	9.77
IP(EA), eV:	-9.26(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-cyclohexyl-1-methylpyrazol-4-yl)-piperidin-1-ylmethanone

Drug info:

PubChemData

Smile

CC(C)(C)N1C=C(C=N1)NS(=O)(=O)C2=CC=C(C=C2)N3CCCS3(=O)=O

DOS

IR

Vibrations