Geometry & MOs

Info

ID:	251688
PubChem CID:	103106014
Reduced:	O3N4C11H18 (1)
Stoich.:	A3B4C11D18 (1)
Weight, g/mol:	311.130363
ΔH_f, kcal/mol:	-80.33
Dipole, Da:	8.18
IP(EA), eV:	-9.88(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-ethyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCC1=C(N=NN1C(C)C(=O)N(C)C)C(=O)OC

DOS

IR

Vibrations