Geometry & MOs

Info

ID:

441547

PubChem CID:

135236017

Reduced:

O5C30H36 (1)

Stoich.:

A5B30C36 (1)

Weight, g/mol:

494.33961

ΔHf, kcal/mol:

-163.09

Dipole, Da:

5.64

IP(EA), eV:

 -9.1(-1.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,4-dihydroxy-3-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-6-pentyl-5-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzoic acid

Drug info:

PubChemData

Smile

CCCCCC1=C(C(=C(C(=O)C1=O)[C@@H]2C=C(CC[C@H]2C(=C)C)C)O)C(=O)OC(C)C3=CC=CC=C3

DOS

IR

Vibrations