Geometry & MOs

Info

ID:	310374
PubChem CID:	126579440
Reduced:	Br2N2O3H8C11 (1)
Stoich.:	A2B2C3D8E11 (1)
Weight, g/mol:	335.92749
ΔH_f, kcal/mol:	4.02
Dipole, Da:	3.14
IP(EA), eV:	-9.32(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chloro-2-iodophenyl)-4-methyltetrazol-5-one

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Br)COC2=NN(C=C2)O)C(=O)Br

DOS

IR

Vibrations