Geometry & MOs

Info

ID:

296801

PubChem CID:

117593696

Reduced:

O4C22H25 (2)

Stoich.:

A4B22C25 (2)

Weight, g/mol:

908.601364

ΔHf, kcal/mol:

-322.71

Dipole, Da:

8.88

IP(EA), eV:

 -8.31(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,4-dihydroxyheptadec-16-enyl acetate;2,4-dihydroxyheptadec-16-ynyl acetate;2-methoxy-5-(1-phenylprop-2-enyl)cyclohexa-2,5-diene-1,4-dione

Drug info:

PubChemData

Smile

CC1=C2CC=C3C(C2=CC(=C1O)O)(CCC4(C3(CCC5(C4CC(CC5)(C)C(=O)O)C)C)C)C.C1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O

DOS

IR

Vibrations