Geometry & MOs

Info

ID:	251691
PubChem CID:	103106038
Reduced:	O4N5C12H19 (1)
Stoich.:	A4B5C12D19 (1)
Weight, g/mol:	288.158626
ΔH_f, kcal/mol:	-136.72
Dipole, Da:	4.56
IP(EA), eV:	-10.32(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-propyl-1-(2-pyridin-4-ylethyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCCC1=C(N=NN1CC(=O)NC(=O)NC)C(=O)OCC

DOS

IR

Vibrations