Geometry & MOs

Info

ID:

310544

PubChem CID:

126581855

Reduced:

N4O7H28C34 (1)

Stoich.:

A4B7C28D34 (1)

Weight, g/mol:

494.33961

ΔHf, kcal/mol:

-116.75

Dipole, Da:

10.74

IP(EA), eV:

 -8.49(-1.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC2=C(C=CN=C2C=C1OC)OC3=CN=C(C=C3)NC(=O)C4=CC5=C(C(C6(CC6)CC5=O)O)N(C4=O)C7=CC=CC=C7

DOS

IR

Vibrations