Geometry & MOs

Info

ID:	405930
PubChem CID:	135076028
Reduced:	OC8H9 (2)
Stoich.:	AB8C9 (2)
Weight, g/mol:	369.03381
ΔH_f, kcal/mol:	-58.96
Dipole, Da:	2.82
IP(EA), eV:	-9.15(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-iodo-1-[(4-methylphenyl)methyl]-4-(prop-2-enoxymethyl)triazole

Drug info:

PubChemData

Smile

C1CCC(CC1)/C=C/2\COC3=CC=CC=C3C2=O

DOS

IR

Vibrations