Geometry & MOs

Info

ID:

228063

PubChem CID:

87563308

Reduced:

ClN2O5C28H45 (1)

Stoich.:

AB2C5D28E45 (1)

Weight, g/mol:

472.282489

ΔHf, kcal/mol:

-251.35

Dipole, Da:

5.14

IP(EA), eV:

 -8.27(0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,4,6-trihydroxy-5-[1-[(7R)-7-hydroxy-1,1,3a,7-tetramethyl-1a,2,3,4,5,6,7a,7b-octahydrocyclopropa[a]naphthalen-4-yl]-3-methylbutyl]benzene-1,3-dicarbaldehyde

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)OCC(C)N.CC1=CC(=C(C(=C1OC(=O)C)C)C)OCC(CNC(C)C)O.Cl

DOS

IR

Vibrations