Geometry & MOs

Info

ID:

427789

PubChem CID:

135162966

Reduced:

N2H19C28 (2)

Stoich.:

A2B19C28 (2)

Weight, g/mol:

418.158037

ΔHf, kcal/mol:

285.68

Dipole, Da:

2.48

IP(EA), eV:

 -7.95(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[4-[3-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenyl] 2-methylpropanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C(=C/2\C=CC=CC2N)/N=CN3C4=CC=CC=C4C5=C3C6=CC=CC=C6C7=C5C8=CC=CC=C8C(=C7)C9=CC1=C(C=C9)N(C2=CC=CC=C21)C1=CC=CC=C1

DOS

IR

Vibrations