Geometry & MOs

Info

ID:	386991
PubChem CID:	134983631
Reduced:	NC6H9 (2)
Stoich.:	AB6C9 (2)
Weight, g/mol:	232.109944
ΔH_f, kcal/mol:	25.98
Dipole, Da:	3.89
IP(EA), eV:	-9.47(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(Z)-6-oxohept-4-enyl] benzoate

Drug info:

PubChemData

Smile

C1CCCCC2=NN=C(CCC1)C=C2

DOS

IR

Vibrations