Geometry & MOs

Info

ID:	251703
PubChem CID:	103106153
Reduced:	O3N4C14H24 (1)
Stoich.:	A3B4C14D24 (1)
Weight, g/mol:	288.158626
ΔH_f, kcal/mol:	-118.83
Dipole, Da:	1.41
IP(EA), eV:	-10.12(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[(6-methylpyridin-2-yl)methyl]-5-propyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCCC1=C(N=NN1CCC(=O)NC(C)C)C(=O)OCC

DOS

IR

Vibrations