Geometry & MOs

Info

ID:	253532
PubChem CID:	103119061
Reduced:	SO2N5C9H11 (1)
Stoich.:	AB2C5D9E11 (1)
Weight, g/mol:	230.101505
ΔH_f, kcal/mol:	5.32
Dipole, Da:	5.97
IP(EA), eV:	-9.92(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-aminoethyl)-1-(2,3-dihydroxypropyl)triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C1=CSC(=N1)CN2C(=C(N=N2)C(=O)O)CCN

DOS

IR

Vibrations