Geometry & MOs

Info

ID:

127841

PubChem CID:

51019286

Reduced:

O8C31H36 (1)

Stoich.:

A8B31C36 (1)

Weight, g/mol:

304.24023

ΔHf, kcal/mol:

-273.69

Dipole, Da:

5.12

IP(EA), eV:

 -9.57(-0.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,2R,3R,6S,7R)-3-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-4-oxatricyclo[5.2.2.02,6]undec-8-ene

Drug info:

PubChemData

Smile

C[C@]12[C@H]([C@@H]([C@@]([C@](O1)([C@@H](O2)COCC3=CC=CC=C3)COCC4=CC=CC=C4)(COCC5=CC=CC=C5)O)O)O

DOS

IR

Vibrations