Geometry & MOs

Info

ID:

430366

PubChem CID:

135170430

Reduced:

NO6C25H35 (1)

Stoich.:

AB6C25D35 (1)

Weight, g/mol:

683.366947

ΔHf, kcal/mol:

-248.51

Dipole, Da:

5.16

IP(EA), eV:

 -8.59(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-hydroxy-3-(2-methylbutan-2-yl)phenyl] 2-methylprop-2-enoate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(1,2,6-trimethylpiperidin-4-yl) 2-methylprop-2-enoate

Drug info:

PubChemData

Smile

CC(=C)C(=O)OC1CC(NC(C1)(C)C)(C)C.CC(=C)C(=O)OC1=CC(=CC(=C1)O)C(=O)C

DOS

IR

Vibrations