Geometry & MOs

Info

ID:	396018
PubChem CID:	135027206
Reduced:	NO3C16H19 (1)
Stoich.:	AB3C16D19 (1)
Weight, g/mol:	196.073559
ΔH_f, kcal/mol:	-110.38
Dipole, Da:	1.66
IP(EA), eV:	-8.79(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-acetyl-4-hydroxy-8-methyl-2-oxabicyclo[2.2.2]oct-5-en-3-one

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2N(C1=O)C)CC3COCCC3=O

DOS

IR

Vibrations