Geometry & MOs

Info

ID:	203149
PubChem CID:	79785138
Reduced:	ION2C10H15 (1)
Stoich.:	ABC2D10E15 (1)
Weight, g/mol:	252.97121
ΔH_f, kcal/mol:	-11.56
Dipole, Da:	3.55
IP(EA), eV:	-8.98(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-iodo-1-(2-methoxyethyl)-1,2,4-triazole

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CC2CCCO2)C)I

DOS

IR

Vibrations