Geometry & MOs

Info

ID:	397745
PubChem CID:	135030660
Reduced:	OH22C26 (1)
Stoich.:	AB22C26 (1)
Weight, g/mol:	337.15924
ΔH_f, kcal/mol:	54.19
Dipole, Da:	3.78
IP(EA), eV:	-9.15(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

10-phenyl-11-[(E)-2-phenylethenyl]-9-oxoniatricyclo[6.2.2.02,7]dodeca-2,4,6,9-tetraene

Drug info:

PubChemData

Smile

C[C@]12C[C@@H]3C([C@H]1C4=CC=CC=C4)C3(C5=CC=CC=C25)C(=O)C6=CC=CC=C6

DOS

IR

Vibrations