Geometry & MOs

Info

ID:	203155
PubChem CID:	79788416
Reduced:	ISN2O2C7H9 (1)
Stoich.:	ABC2D2E7F9 (1)
Weight, g/mol:	352.04365
ΔH_f, kcal/mol:	-23.56
Dipole, Da:	2.97
IP(EA), eV:	-9.53(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclohexyl-4-(2-iodophenyl)pyrazole

Drug info:

PubChemData

Smile

C1CS(=O)(=O)CC1N2C=CC(=N2)I

DOS

IR

Vibrations