Geometry & MOs

Info

ID:	251697
PubChem CID:	103106108
Reduced:	N3O3C15H19 (1)
Stoich.:	A3B3C15D19 (1)
Weight, g/mol:	291.138305
ΔH_f, kcal/mol:	-71.41
Dipole, Da:	3.62
IP(EA), eV:	-9.51(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[(3-fluorophenyl)methyl]-5-propyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCCC1=C(N=NN1CC2=CC(=CC=C2)O)C(=O)OCC

DOS

IR

Vibrations