Geometry & MOs

Info

ID:	162862
PubChem CID:	57578138
Reduced:	O2N3H7C10 (1)
Stoich.:	A2B3C7D10 (1)
Weight, g/mol:	295.986781
ΔH_f, kcal/mol:	19.03
Dipole, Da:	4.21
IP(EA), eV:	-9.51(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,4-dichlorophenyl)-7H-pyrazolo[5,1-c][1,2,4]triazole-6-carboxylic acid

Drug info:

PubChemData

Smile

C1C(=NN2C1=NC3=CC=CC=C32)C(=O)O

DOS

IR

Vibrations