Geometry & MOs

Info

ID:	286543
PubChem CID:	104170974
Reduced:	INO3C12H14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	299.95264
ΔH_f, kcal/mol:	-84.04
Dipole, Da:	2.26
IP(EA), eV:	-8.78(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-3-iodo-1-(2-methoxypropyl)pyrazole

Drug info:

PubChemData

Smile

CC(CN1C(=O)COC2=C1C=CC(=C2)I)OC

DOS

IR

Vibrations