Geometry & MOs

Info

ID:

51560

PubChem CID:

12014252

Reduced:

O5C35H42 (1)

Stoich.:

A5B35C42 (1)

Weight, g/mol:

382.250795

ΔHf, kcal/mol:

-122.26

Dipole, Da:

1.52

IP(EA), eV:

 -9.3(0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,4R,5R,6S)-5-[(R)-methoxy-[(1R,4Z,8S)-8-phenylmethoxycyclooct-4-en-1-yl]oxymethyl]-6-methylbicyclo[2.2.1]hept-2-ene

Drug info:

PubChemData

Smile

C[C@H]1[C@H]2C[C@@H]([C@@H]1[C@H](OC)O[C@H](COCC3=CC=CC=C3)[C@H](COCC4=CC=CC=C4)OCC5=CC=CC=C5)C=C2

DOS

IR

Vibrations