Geometry & MOs

Info

ID:	322163
PubChem CID:	126669036
Reduced:	ISN3O3C4H6 (1)
Stoich.:	ABC3D3E4F6 (1)
Weight, g/mol:	224.93991
ΔH_f, kcal/mol:	-52.67
Dipole, Da:	6.53
IP(EA), eV:	-10.0(-3.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-iodo-1,2,4-triazol-3-yl)methanol

Drug info:

PubChemData

Smile

CS(=O)(=O)OCC1=NN(C=N1)I

DOS

IR

Vibrations