Geometry & MOs

Info

ID:	437248
PubChem CID:	135218164
Reduced:	NC26H41 (1)
Stoich.:	AB26C41 (1)
Weight, g/mol:	180.078644
ΔH_f, kcal/mol:	-43.13
Dipole, Da:	1.96
IP(EA), eV:	-9.13(1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-3-oxabicyclo[4.2.2]dec-7-ene-2,4-dione

Drug info:

PubChemData

Smile

CC1CC2C(C=C1)C3CCCCC3C24C5CCCCC5C6C4CC(CC6)N

DOS

IR

Vibrations