Geometry & MOs

Info

ID:	254189
PubChem CID:	103123292
Reduced:	SO2N4C11H18 (1)
Stoich.:	AB2C4D11E18 (1)
Weight, g/mol:	296.184841
ΔH_f, kcal/mol:	-35.23
Dipole, Da:	5.42
IP(EA), eV:	-8.88(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-ethyl-2-hydroxybutyl)-5-piperidin-4-yltriazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CSCCN1C(=C(N=N1)C(=O)O)C2CCNCC2

DOS

IR

Vibrations