Geometry & MOs

Info

ID:	57881
PubChem CID:	24278208
Reduced:	SO2N4H20C22 (1)
Stoich.:	AB2C4D20E22 (1)
Weight, g/mol:	259.132077
ΔH_f, kcal/mol:	38.93
Dipole, Da:	5.88
IP(EA), eV:	-8.87(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)C2=C(N(N=N2)C3=CC=C(C=C3)N)C4=CC=CC=C4)C

DOS

IR

Vibrations