Geometry & MOs

Info

ID:	251692
PubChem CID:	103106044
Reduced:	O2N4C15H20 (1)
Stoich.:	A2B4C15D20 (1)
Weight, g/mol:	291.169525
ΔH_f, kcal/mol:	-20.84
Dipole, Da:	5.9
IP(EA), eV:	-10.22(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[2-(2-methylimidazol-1-yl)ethyl]-5-propyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCCC1=C(N=NN1CCC2=CC=NC=C2)C(=O)OCC

DOS

IR

Vibrations