Geometry & MOs

Info

ID:	394180
PubChem CID:	135022480
Reduced:	ON2H14C18 (1)
Stoich.:	AB2C14D18 (1)
Weight, g/mol:	300.172545
ΔH_f, kcal/mol:	36.89
Dipole, Da:	8.24
IP(EA), eV:	-8.62(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2E,4E)-5-[(1S,2R,4R)-1-but-3-enyl-7-oxo-2-bicyclo[2.2.2]oct-5-enyl]penta-2,4-dienoate

Drug info:

PubChemData

Smile

C1CC2=C(C3=CC=CC=C31)C(=O)N=C(N2)C4=CC=CC=C4

DOS

IR

Vibrations