Geometry & MOs

Info

ID:	251714
PubChem CID:	103106228
Reduced:	SO2N4C13H18 (1)
Stoich.:	AB2C4D13E18 (1)
Weight, g/mol:	255.158292
ΔH_f, kcal/mol:	-20.73
Dipole, Da:	4.05
IP(EA), eV:	-9.61(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(3-hydroxybutyl)-5-propyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCCC1=C(N=NN1CC2=NC(=CS2)C)C(=O)OCC

DOS

IR

Vibrations