Geometry & MOs

Info

ID:	251642
PubChem CID:	103105596
Reduced:	N3O3C15H19 (1)
Stoich.:	A3B3C15D19 (1)
Weight, g/mol:	291.121906
ΔH_f, kcal/mol:	-64.06
Dipole, Da:	5.77
IP(EA), eV:	-9.05(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C(=C(N=N1)C(=O)OCC)C2=CC=C(C=C2)OCC

DOS

IR

Vibrations