Geometry & MOs

Info

ID:	54713
PubChem CID:	17389145
Reduced:	IN4O4H19C20 (1)
Stoich.:	AB4C4D19E20 (1)
Weight, g/mol:	412.093833
ΔH_f, kcal/mol:	-70.87
Dipole, Da:	7.57
IP(EA), eV:	-9.24(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methylphenyl)-3,5-diphenyltetrazol-2-ium;perchlorate

Drug info:

PubChemData

Smile

CCOC(=O)[C@]1([C@@H]2C=CC(=CN2[C@H]([C@@H]1C3=CC(=CC=C3)I)C(=O)N)C(=O)N)C#N

DOS

IR

Vibrations