Geometry & MOs

Info

ID:	251659
PubChem CID:	103105735
Reduced:	O3N4C14H24 (1)
Stoich.:	A3B4C14D24 (1)
Weight, g/mol:	295.153206
ΔH_f, kcal/mol:	-90.93
Dipole, Da:	6.14
IP(EA), eV:	-9.29(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(2,6-dioxaspiro[4.5]decan-9-yl)-5-ethyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCC1=C(N=NN1CC2CN(CCO2)C(C)C)C(=O)OC

DOS

IR

Vibrations