Geometry & MOs

Info

ID:	191031
PubChem CID:	78096136
Reduced:	OC6H9 (2)
Stoich.:	AB6C9 (2)
Weight, g/mol:	209.141579
ΔH_f, kcal/mol:	-80.9
Dipole, Da:	3.95
IP(EA), eV:	-9.92(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-heptan-2-ylidene-3-oxa-1-azabicyclo[4.1.0]heptan-2-one

Drug info:

PubChemData

Smile

C=CCCCCCC1CC(=O)OC=C1

DOS

IR

Vibrations