Geometry & MOs

Info

ID:	160433
PubChem CID:	57309781
Reduced:	ClION2C16H24 (1)
Stoich.:	ABCD2E16F24 (1)
Weight, g/mol:	559.98155
ΔH_f, kcal/mol:	22.5
Dipole, Da:	2.76
IP(EA), eV:	-8.9(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5-(2,4-dinitrophenyl)-2-(4-iodophenyl)-3-(4-nitrophenyl)tetrazol-3-ium

Drug info:

PubChemData

Smile

CCCCCCCCCC1=NOC(=C1Cl)NC(C)C#CI

DOS

IR

Vibrations