Geometry & MOs

Info

ID:	57882
PubChem CID:	24278223
Reduced:	O2N3C14H17 (1)
Stoich.:	A2B3C14D17 (1)
Weight, g/mol:	293.116427
ΔH_f, kcal/mol:	-34.9
Dipole, Da:	8.68
IP(EA), eV:	-9.61(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dimethylphenyl)-5-phenyltriazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CCCC1=C(N=NN1C2=CC(=C(C=C2)C)C)C(=O)O

DOS

IR

Vibrations