Geometry & MOs

Info

ID:	57893
PubChem CID:	24278331
Reduced:	Cl2O2N3H9C15 (1)
Stoich.:	A2B2C3D9E15 (1)
Weight, g/mol:	322.986446
ΔH_f, kcal/mol:	14.85
Dipole, Da:	6.37
IP(EA), eV:	-10.04(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,4-dichlorophenyl)-5-(furan-2-yl)triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(N=NN2C3=C(C=C(C=C3)Cl)Cl)C(=O)O

DOS

IR

Vibrations