Geometry & MOs

Info

ID:

430367

PubChem CID:

135170431

Reduced:

NO10C38H53 (1)

Stoich.:

AB10C38D53 (1)

Weight, g/mol:

649.305096

ΔHf, kcal/mol:

-330.12

Dipole, Da:

3.36

IP(EA), eV:

 -8.16(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3-fluoro-2-hydroxyphenyl) 2-methylprop-2-enoate;(5-hydroxynaphthalen-1-yl) 2-methylprop-2-enoate;(2,2,6,6-tetramethylpiperidin-4-yl) 2-methylprop-2-enoate

Drug info:

PubChemData

Smile

CCC(C)(C)C1=C(C=CC(=C1)OC(=O)C(=C)C)O.CC1CC(CC(N1C)C)OC(=O)C(=C)C.CC(=C)C(=O)OC1C2CC3C(C1OC3=O)O2

DOS

IR

Vibrations