Geometry & MOs

Info

ID:

441551

PubChem CID:

135236021

Reduced:

O2C7H10 (2)

Stoich.:

A2B7C10 (2)

Weight, g/mol:

508.318875

ΔHf, kcal/mol:

-160.8

Dipole, Da:

4.14

IP(EA), eV:

-10.34(-0.58)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

6-hydroxy-5-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-3,4-dioxo-2-[5-[(1R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]pentyl]cyclohexa-1,5-diene-1-carboxylic acid

Drug info:

PubChemData

Smile

C1CCC(CC1)C(O)OC(=O)C2=CC3C(O3)CC2

DOS

IR

Vibrations