Geometry & MOs

Info

ID:	310377
PubChem CID:	126579449
Reduced:	IO2F3N4H6C9 (1)
Stoich.:	AB2C3D4E6F9 (1)
Weight, g/mol:	321.91184
ΔH_f, kcal/mol:	-124.09
Dipole, Da:	0.9
IP(EA), eV:	-10.04(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chloro-2-iodophenyl)-2H-tetrazol-5-one

Drug info:

PubChemData

Smile

CN1C(=O)N(N=N1)C2=C(C(=CC=C2)OC(F)(F)F)I

DOS

IR

Vibrations