Geometry & MOs

Info

ID:	251911
PubChem CID:	103107803
Reduced:	N3O3C14H21 (1)
Stoich.:	A3B3C14D21 (1)
Weight, g/mol:	265.142641
ΔH_f, kcal/mol:	-92.93
Dipole, Da:	3.17
IP(EA), eV:	-10.11(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(6-oxaspiro[4.5]decan-9-yl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=CN(N=N1)C2CCOC3(C2)CCCCC3

DOS

IR

Vibrations