Geometry & MOs

Info

ID:

297307

PubChem CID:

117614793

Reduced:

N3H14C26 (2)

Stoich.:

A3B14C26 (2)

Weight, g/mol:

418.162768

ΔHf, kcal/mol:

368.45

Dipole, Da:

4.42

IP(EA), eV:

 -8.47(-1.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-O-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 8-O-(oxiran-2-ylmethyl) tricyclo[5.2.1.02,6]deca-3,8-diene-4,8-dicarboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC3=C(C=C2)N(C4=C3C=C(C=C4)C5=CC6=C(C=C5)N(C7=C6C=C(C=C7)C8=CC=CC=C8)C9=C(C=CC=C9C#N)C#N)C1=C(C=CC=C1C#N)C#N

DOS

IR

Vibrations