Geometry & MOs

Info

ID:

446825

PubChem CID:

135278024

Reduced:

N6O11C36H54 (1)

Stoich.:

A6B11C36D54 (1)

Weight, g/mol:

453.252861

ΔHf, kcal/mol:

-410.61

Dipole, Da:

4.23

IP(EA), eV:

 -8.37(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(E)-N-[5-[(2E,4E,6Z)-6-(2-cyanopyridin-4-yl)-5-prop-1-en-2-ylocta-2,4,6-trien-3-yl]pyridin-3-yl]-4-(dimethylamino)but-2-enamide

Drug info:

PubChemData

Smile

CCCC(=O)N(C=O)OC(=O)CCOCCOCCOCCOCCOCCC(=O)N(CC)CC1=NC2=C(N1CC(C)(C)O)C3=CC=CC=C3N=C2N

DOS

IR

Vibrations