Geometry & MOs

Info

ID:

305220

PubChem CID:

124767617

Reduced:

O5C9H12 (3)

Stoich.:

A5B9C12 (3)

Weight, g/mol:

285.136493

ΔHf, kcal/mol:

-683.47

Dipole, Da:

4.23

IP(EA), eV:

 -9.88(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,2R,3R,4R)-3-[(2,5-dimethylphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

C[C@H]1[C@@H](C[C@H]2[C@H]1[C@H](OC=C2C(=O)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations