Geometry & MOs

Info

ID:

85056

PubChem CID:

49871502

Reduced:

SiO6C42H64 (1)

Stoich.:

AB6C42D64 (1)

Weight, g/mol:

336.05136

ΔHf, kcal/mol:

-354.68

Dipole, Da:

5.94

IP(EA), eV:

 -8.87(0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-bromo-4-[(1S,5S)-2-methylidene-5-[(E)-2-phenylethenyl]cyclopent-3-en-1-yl]benzene

Drug info:

PubChemData

Smile

C[C@H]1CCCC[C@H]2[C@H](C[C@@H](O2)C[C@@H]([C@H]([C@@H](CC(=C)C[C@H](OC1=O)CC[C@H](C)O[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)C)O)O)C

DOS

IR

Vibrations