Geometry & MOs

Info

ID:	251645
PubChem CID:	103105604
Reduced:	N3O3C15H19 (1)
Stoich.:	A3B3C15D19 (1)
Weight, g/mol:	293.11757
ΔH_f, kcal/mol:	-61.41
Dipole, Da:	3.11
IP(EA), eV:	-9.14(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(2-fluoroethyl)-5-(3-methoxyphenyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCCN1C(=C(N=N1)C(=O)OCC)C2=CC(=CC=C2)OC

DOS

IR

Vibrations