Geometry & MOs

Info

ID:	150135
PubChem CID:	53789822
Reduced:	C5H9 (2)
Stoich.:	A5B9 (2)
Weight, g/mol:	261.063722
ΔH_f, kcal/mol:	6.13
Dipole, Da:	0.05
IP(EA), eV:	-9.89(2.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-5-(4-nitrophenyl)-3-oxabicyclo[3.1.1]heptane-2,4-dione

Drug info:

PubChemData

Smile

CCCC(C)CCC#CC

DOS

IR

Vibrations