Geometry & MOs

Info

ID:	436841
PubChem CID:	135212171
Reduced:	O3C8H11 (2)
Stoich.:	A3B8C11 (2)
Weight, g/mol:	247.157229
ΔH_f, kcal/mol:	-262.17
Dipole, Da:	2.54
IP(EA), eV:	-9.92(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methyl-5-methylidene-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one

Drug info:

PubChemData

Smile

CC(C)(O)O[C@@H]1C[C@H](OC1)[C@@H](COC(=O)C2=CC=CC=C2)O

DOS

IR

Vibrations