Geometry & MOs

Info

ID:	389528
PubChem CID:	134993484
Reduced:	C13H14 (1)
Stoich.:	A13B14 (1)
Weight, g/mol:	224.141244
ΔH_f, kcal/mol:	33.45
Dipole, Da:	0.73
IP(EA), eV:	-8.7(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (1S,6S)-10-oxobicyclo[4.3.1]decane-1-carboxylate

Drug info:

PubChemData

Smile

C/C=C/1\C(=C)CCC2=CC=CC=C21

DOS

IR

Vibrations