Geometry & MOs

Info

ID:

384841

PubChem CID:

134977782

Reduced:

O2C13H18 (2)

Stoich.:

A2B13C18 (2)

Weight, g/mol:

550.293463

ΔHf, kcal/mol:

-134.25

Dipole, Da:

2.43

IP(EA), eV:

 -10.24(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,4Z,9S)-1,9-bis[[tert-butyl(dimethyl)silyl]oxy]-4-(4-methoxyphenyl)bicyclo[7.3.1]tridec-4-en-2,6-diyn-13-one

Drug info:

PubChemData

Smile

C[C@H]1[C@@H]2C[C@@H](C2(C)C)C[C@@H]1OC(=O)/C=C/C#CC(=O)O[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C

DOS

IR

Vibrations