Geometry & MOs

Info

ID:	392030
PubChem CID:	135012057
Reduced:	O6C17H22 (1)
Stoich.:	A6B17C22 (1)
Weight, g/mol:	207.162314
ΔH_f, kcal/mol:	-178.52
Dipole, Da:	2.87
IP(EA), eV:	-9.71(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-2-ethyl-8,9,9-trimethyl-4-methylidene-3-oxa-1-azaspiro[4.4]non-1-ene

Drug info:

PubChemData

Smile

CCOC(=O)C#CCOC[C@@H]([C@H](COCC1=CC=CC=C1)O)O

DOS

IR

Vibrations