Geometry & MOs

Info

ID:	203153
PubChem CID:	79786746
Reduced:	SN4H14C15 (1)
Stoich.:	AB4C14D15 (1)
Weight, g/mol:	290.028
ΔH_f, kcal/mol:	99.9
Dipole, Da:	1.57
IP(EA), eV:	-9.01(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-iodo-1-(3-methylcyclohexyl)pyrazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(SC(=N2)C3=NC=NC=C3)CCN

DOS

IR

Vibrations