Geometry & MOs

Info

ID:	410532
PubChem CID:	135083330
Reduced:	O2C9H12 (1)
Stoich.:	A2B9C12 (1)
Weight, g/mol:	166.09938
ΔH_f, kcal/mol:	-47.96
Dipole, Da:	5.56
IP(EA), eV:	-9.79(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-ethoxybicyclo[4.2.0]oct-1(6)-en-2-one

Drug info:

PubChemData

Smile

COC1CC2=C1CCCC2=O

DOS

IR

Vibrations