Geometry & MOs

Info

ID:	17414
PubChem CID:	497160
Reduced:	ION4H9C11 (1)
Stoich.:	ABC4D9E11 (1)
Weight, g/mol:	339.98211
ΔH_f, kcal/mol:	138.26
Dipole, Da:	7.35
IP(EA), eV:	-9.24(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-iodoprop-2-ynyl)-5-(4-methoxyphenyl)tetrazole

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NN=NN2CC#CI

DOS

IR

Vibrations