Geometry & MOs

Info

ID:	251699
PubChem CID:	103106124
Reduced:	O3N5C13H21 (1)
Stoich.:	A3B5C13D21 (1)
Weight, g/mol:	267.158292
ΔH_f, kcal/mol:	-90.2
Dipole, Da:	6.46
IP(EA), eV:	-10.07(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(oxolan-3-ylmethyl)-5-propyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCCC1=C(N=NN1CCN2CCNC2=O)C(=O)OCC

DOS

IR

Vibrations