Geometry & MOs

Info

ID:	368173
PubChem CID:	127327724
Reduced:	SO4N6C16H18 (1)
Stoich.:	AB4C6D16E18 (1)
Weight, g/mol:	297.151098
ΔH_f, kcal/mol:	-91.43
Dipole, Da:	6.89
IP(EA), eV:	-9.44(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-cyclohexylsulfonylpyrrolidin-3-yl)-1-methylpyrazole

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2CCN(C2)S(=O)(=O)C3=CC4=C(N=C3)N(C(=O)NC4=O)C

DOS

IR

Vibrations