Geometry & MOs

Info

ID:	254188
PubChem CID:	103123290
Reduced:	SO2N4C12H20 (1)
Stoich.:	AB2C4D12E20 (1)
Weight, g/mol:	270.115047
ΔH_f, kcal/mol:	-42.72
Dipole, Da:	6.86
IP(EA), eV:	-9.24(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methylsulfanylethyl)-5-piperidin-4-yltriazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CCSCCN1C(=C(N=N1)C(=O)O)C2CCNCC2

DOS

IR

Vibrations