Geometry & MOs

Info

ID:	392426
PubChem CID:	135016035
Reduced:	NO2H17C20 (1)
Stoich.:	AB2C17D20 (1)
Weight, g/mol:	308.162374
ΔH_f, kcal/mol:	5.39
Dipole, Da:	3.51
IP(EA), eV:	-8.71(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-[(E)-2-(5,5-dimethyl-3-oxocyclohexen-1-yl)ethenyl]propanedioate

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C3=C(C1=O)OCC4=CC=CC=C4/C=C\C3

DOS

IR

Vibrations