Geometry & MOs

Info

ID:	221511
PubChem CID:	85273800
Reduced:	H11C15 (1)
Stoich.:	A11B15 (1)
Weight, g/mol:	312.120903
ΔH_f, kcal/mol:	129.73
Dipole, Da:	0.2
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.065264
Charge, e:	0

Chem-info

IUPAC name:

methyl 8-acetyl-4,6,6-trimethoxy-5-oxobicyclo[2.2.2]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

C#CC=C(C1=CC=CC=C1)[C]2[CH][CH][CH][CH]2

DOS

IR

Vibrations