Geometry & MOs

Info

ID:	405995
PubChem CID:	135076198
Reduced:	IO3N4H11C12 (1)
Stoich.:	AB3C4D11E12 (1)
Weight, g/mol:	346.95893
ΔH_f, kcal/mol:	80.06
Dipole, Da:	3.52
IP(EA), eV:	-10.09(-2.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-iodo-4-(prop-2-enoxymethyl)-1-thiophen-3-yltriazole

Drug info:

PubChemData

Smile

C=CCOCC1=C(N(N=N1)C2=CC=C(C=C2)[N+](=O)[O-])I

DOS

IR

Vibrations