Geometry & MOs

Info

ID:	322162
PubChem CID:	126669029
Reduced:	ClNF2O2C11H12 (1)
Stoich.:	ABC2D2E11F12 (1)
Weight, g/mol:	302.91746
ΔH_f, kcal/mol:	-177.64
Dipole, Da:	3.76
IP(EA), eV:	-9.54(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-iodo-1,2,4-triazol-3-yl)methyl methanesulfonate

Drug info:

PubChemData

Smile

CCOC(=O)C(C1=C(C=CC=C1Cl)CN)(F)F

DOS

IR

Vibrations