Geometry & MOs

Info

ID:

309552

PubChem CID:

126548031

Reduced:

N3H45C73 (1)

Stoich.:

A3B45C73 (1)

Weight, g/mol:

416.198759

ΔHf, kcal/mol:

325.33

Dipole, Da:

4.18

IP(EA), eV:

 -8.48(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[4-[(3E,5E)-6-(4-formyloxyphenyl)hepta-1,3,5-trien-3-yl]phenyl]propyl 2-methylprop-2-enoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=NC=C2)C3=CC4=C5C=CC(=CC5=C6C=C(C=CC6=C4C=C3)C7=NC=CC(=C7)C8=CC=CC=C8)C9=C1C=C(C=C(C1=CN=C9)C1=CC=CC=C1)C1=CC2=C(C=C1)C1=CC=CC=C1C1=CC=CC=C12

DOS

IR

Vibrations