Geometry & MOs

Info

ID:	58579
PubChem CID:	24702350
Reduced:	BrON2C8H9 (1)
Stoich.:	ABC2D8E9 (1)
Weight, g/mol:	247.070539
ΔH_f, kcal/mol:	7.54
Dipole, Da:	1.77
IP(EA), eV:	-9.49(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-(tetrazol-1-yl)acetyl]amino]benzoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Br)OCC(=N)N

DOS

IR

Vibrations