Geometry & MOs

Info

ID:	264662
PubChem CID:	103481246
Reduced:	BrClN2O2H10C13 (1)
Stoich.:	ABC2D2E10F13 (1)
Weight, g/mol:	363.98388
ΔH_f, kcal/mol:	-40.46
Dipole, Da:	7.1
IP(EA), eV:	-9.07(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-(2-bromo-3-chlorophenyl)tetrazol-5-yl]benzene-1,3-diamine

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)N)NC2=C(C(=CC=C2)Cl)Br)C(=O)O

DOS

IR

Vibrations