Geometry & MOs

Info

ID:	180301
PubChem CID:	76611967
Reduced:	NO8C36H43 (1)
Stoich.:	AB8C36D43 (1)
Weight, g/mol:	126.06808
ΔH_f, kcal/mol:	-302.83
Dipole, Da:	7.34
IP(EA), eV:	-8.92(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,6-dimethyl-3-oxabicyclo[3.1.0]hexan-2-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC(=C(C=C1)OCCCC2=CC=C(C=C2)OCCCCOC3=CC=CC=C3)C(=O)NC4CCC(C4)C(=O)OC

DOS

IR

Vibrations