Geometry & MOs

Info

ID:	310378
PubChem CID:	126579451
Reduced:	ClIOH4N4C7 (1)
Stoich.:	ABCD4E4F7 (1)
Weight, g/mol:	301.96646
ΔH_f, kcal/mol:	88.04
Dipole, Da:	4.38
IP(EA), eV:	-9.98(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-iodo-3-methylphenyl)-2H-tetrazol-5-one

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)I)N2C(=O)N=NN2

DOS

IR

Vibrations