Geometry & MOs

Info

ID:	57859
PubChem CID:	24277882
Reduced:	SN3O4H19C23 (1)
Stoich.:	AB3C4D19E23 (1)
Weight, g/mol:	307.132077
ΔH_f, kcal/mol:	-32.45
Dipole, Da:	7.33
IP(EA), eV:	-9.99(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-ethylphenyl)-5-(3-methylphenyl)triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)S(=O)(=O)C2=C(N(N=N2)C3=CC=CC(=C3)C(=O)O)C4=CC=CC=C4

DOS

IR

Vibrations