Geometry & MOs

Info

ID:	18226
PubChem CID:	538959
Reduced:	O2C7H11 (2)
Stoich.:	A2B7C11 (2)
Weight, g/mol:	254.151809
ΔH_f, kcal/mol:	-192.44
Dipole, Da:	2.19
IP(EA), eV:	-10.28(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-acetyl-5-hydroxy-5-methyl-3-propan-2-yl-7-oxabicyclo[2.2.1]heptan-2-yl)ethanone

Drug info:

PubChemData

Smile

CC(C)C1C(C2CC(C1(O2)C(=O)C)(C)O)C(=O)C

DOS

IR

Vibrations