Geometry & MOs

Info

ID:	251710
PubChem CID:	103106217
Reduced:	ClO2N5C13H18 (1)
Stoich.:	AB2C5D13E18 (1)
Weight, g/mol:	299.184506
ΔH_f, kcal/mol:	-23.28
Dipole, Da:	1.98
IP(EA), eV:	-9.52(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(2-hydroxy-3-propan-2-yloxypropyl)-5-propyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCCC1=C(N=NN1CC2=NC=C(N2C)Cl)C(=O)OCC

DOS

IR

Vibrations