Geometry & MOs

Info

ID:	52058
PubChem CID:	12014834
Reduced:	BrO2N6H7C9 (1)
Stoich.:	AB2C6D7E9 (1)
Weight, g/mol:	357.96752
ΔH_f, kcal/mol:	30.39
Dipole, Da:	5.78
IP(EA), eV:	-9.83(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-iodo-N-(2H-tetrazol-5-ylcarbamoyl)benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)NC(=O)NC2=NNN=N2)Br

DOS

IR

Vibrations