Geometry & MOs

Info

ID:	254220
PubChem CID:	103123490
Reduced:	SN4O4C12H20 (1)
Stoich.:	AB4C4D12E20 (1)
Weight, g/mol:	268.153541
ΔH_f, kcal/mol:	-123.52
Dipole, Da:	9.83
IP(EA), eV:	-9.19(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-hydroxybutyl)-5-piperidin-4-yltriazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CS(=O)(=O)CCCN1C(=C(N=N1)C(=O)O)C2CCNCC2

DOS

IR

Vibrations