Geometry & MOs

Info

ID:	392472
PubChem CID:	135016860
Reduced:	OH6C7 (4)
Stoich.:	AB6C7 (4)
Weight, g/mol:	180.11503
ΔH_f, kcal/mol:	-51.55
Dipole, Da:	3.78
IP(EA), eV:	-8.03(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (1S,6S)-bicyclo[4.2.0]oct-7-ene-7-carboxylate

Drug info:

PubChemData

Smile

COC\1=CC=C/C/2=C\3/C(=C/4\C(=C\5/C(=C12)/C(=CC=C5OC)OC)\C(=CC=C4)OC)/C=CC=C3

DOS

IR

Vibrations