Geometry & MOs

Info

ID:	9822
PubChem CID:	93536
Reduced:	O2N3H4Cl5C10 (1)
Stoich.:	A2B3C4D5E10 (1)
Weight, g/mol:	374.871665
ΔH_f, kcal/mol:	-25.7
Dipole, Da:	6.37
IP(EA), eV:	-10.33(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,4-dichlorophenyl)-5-(trichloromethyl)-1,2,4-triazole-3-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)Cl)N2C(=NC(=N2)C(=O)O)C(Cl)(Cl)Cl

DOS

IR

Vibrations