Geometry & MOs

Info

ID:	384647
PubChem CID:	134977398
Reduced:	OSi3C54H54 (1)
Stoich.:	AB3C54D54 (1)
Weight, g/mol:	336.151415
ΔH_f, kcal/mol:	108.26
Dipole, Da:	5.14
IP(EA), eV:	-8.92(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-3-(2-methylphenyl)-4,5-diphenylcyclopenta-2,4-dien-1-one

Drug info:

PubChemData

Smile

CCCCC1=C(C(=O)C(=C1[Si](CC=C)(C2=CC=CC=C2)C3=CC=CC=C3)[Si](CC=C)(C4=CC=CC=C4)C5=CC=CC=C5)[Si](CC=C)(C6=CC=CC=C6)C7=CC=CC=C7

DOS

IR

Vibrations