Geometry & MOs

Info

ID:	251704
PubChem CID:	103106158
Reduced:	O2N4C15H20 (1)
Stoich.:	A2B4C15D20 (1)
Weight, g/mol:	283.189592
ΔH_f, kcal/mol:	-28.09
Dipole, Da:	4.74
IP(EA), eV:	-10.06(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(2-ethyl-2-hydroxybutyl)-5-propyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCCC1=C(N=NN1CC2=CC=CC(=N2)C)C(=O)OCC

DOS

IR

Vibrations