Geometry & MOs

Info

ID:	216069
PubChem CID:	85085666
Reduced:	O3C13H18 (1)
Stoich.:	A3B13C18 (1)
Weight, g/mol:	222.125594
ΔH_f, kcal/mol:	-54.59
Dipole, Da:	4.18
IP(EA), eV:	-9.58(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-methylidene-9-oxobicyclo[3.3.1]nonane-1-carboxylate

Drug info:

PubChemData

Smile

C1CCC23CCC(O2)C4CCC3(C1)OC4=O

DOS

IR

Vibrations