Geometry & MOs

Info

ID:	372252
PubChem CID:	131294702
Reduced:	NOC14H19 (1)
Stoich.:	ABC14D19 (1)
Weight, g/mol:	219.031377
ΔH_f, kcal/mol:	-31.71
Dipole, Da:	5.03
IP(EA), eV:	-9.69(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-methylsulfonylethyl)-1H-1,2,4-triazole-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(CC#N)C1=CC(=CC=C1)C(C)(C)O

DOS

IR

Vibrations