Geometry & MOs

Info

ID:	57856
PubChem CID:	24277864
Reduced:	SO2N3H11C14 (1)
Stoich.:	AB2C3D11E14 (1)
Weight, g/mol:	280.096026
ΔH_f, kcal/mol:	23.64
Dipole, Da:	8.2
IP(EA), eV:	-9.52(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylphenyl)-5-pyridin-4-yltriazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=C(N=N2)C(=O)O)C3=CC=CS3

DOS

IR

Vibrations