Geometry & MOs

Info

ID:	405994
PubChem CID:	135076197
Reduced:	ISSiO8H25C26 (1)
Stoich.:	ABCD8E25F26 (1)
Weight, g/mol:	385.98759
ΔH_f, kcal/mol:	-259.84
Dipole, Da:	5.32
IP(EA), eV:	-8.92(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-iodo-1-(4-nitrophenyl)-4-(prop-2-enoxymethyl)triazole

Drug info:

PubChemData

Smile

C[Si](C)(C)OC1=CC(=O)OC1OC2=CC(=CC(=C2I)OCC3=CC=CC=C3)OS(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations