Geometry & MOs

Info

ID:

382090

PubChem CID:

134973019

Reduced:

PO2C23H23 (1)

Stoich.:

AB2C23D23 (1)

Weight, g/mol:

744.392708

ΔHf, kcal/mol:

-21.4

Dipole, Da:

6.22

IP(EA), eV:

 -9.29(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3Z)-3-[6-[(1R,2R,4R)-2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-1H-pyridin-2-ylidene]-1-[(3Z)-3-[6-[(1R,2R,4R)-2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-1H-pyridin-2-ylidene]-2-oxonaphthalen-1-yl]naphthalen-2-one

Drug info:

PubChemData

Smile

C1CC2(C1C3CC2C=C3)C(=O)CP(=O)(C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations