Geometry & MOs

Info

ID:

311563

PubChem CID:

126593828

Reduced:

ON4C8H14 (1)

Stoich.:

AB4C8D14 (1)

Weight, g/mol:

939.25538

ΔHf, kcal/mol:

-18.74

Dipole, Da:

5.53

IP(EA), eV:

-8.28(0.1)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

[4-[4,9,14-tris(4-cyanophenyl)-8,13-bis(4-prop-2-enoyloxyphenyl)-3,5,8,10,13,15-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaen-3-yl]phenyl] prop-2-enoate

Drug info:

PubChemData

Smile

C/C(=C\C(=C(/C(=O)N)\N)\NC=C)/N

DOS

IR

Vibrations