Geometry & MOs

Info

ID:

397481

PubChem CID:

135030267

Reduced:

O4N6C25H34 (1)

Stoich.:

A4B6C25D34 (1)

Weight, g/mol:

358.175292

ΔHf, kcal/mol:

-35.5

Dipole, Da:

8.37

IP(EA), eV:

 -9.57(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

phenyl-[(1S,4R)-3-[(1R,4S)-3-trimethylsilyl-2-bicyclo[2.2.1]hepta-2,5-dienyl]-2-bicyclo[2.2.1]hepta-2,5-dienyl]methanone

Drug info:

PubChemData

Smile

C[C@@]1(CCN2C=NC3=C2C(=NC=N3)N1O)/C=C/[C@@]\4([C@H]5CCCC6([C@@]5(CC/C4=N\O)C)OCCO6)C

DOS

IR

Vibrations