Geometry & MOs

Info

ID:	57892
PubChem CID:	24278327
Reduced:	Cl2O2N3H11C12 (1)
Stoich.:	A2B2C3D11E12 (1)
Weight, g/mol:	333.007182
ΔH_f, kcal/mol:	-30.6
Dipole, Da:	6.12
IP(EA), eV:	-10.24(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,4-dichlorophenyl)-5-phenyltriazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)C1=C(N=NN1C2=C(C=C(C=C2)Cl)Cl)C(=O)O

DOS

IR

Vibrations