Geometry & MOs

Info

ID:

445676

PubChem CID:

135268872

Reduced:

ClFON4C24H28 (1)

Stoich.:

ABCD4E24F28 (1)

Weight, g/mol:

492.301975

ΔHf, kcal/mol:

-40.24

Dipole, Da:

2.78

IP(EA), eV:

 -8.35(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3E)-3-N-[(4-chlorophenyl)methyl]-4-N-ethenyl-2-N,4-N-dimethyl-2-N-(3-methylbutyl)-3-N-[3-(6-methylpyridin-3-yl)prop-1-en-2-yl]penta-1,3-diene-2,3,4-triamine

Drug info:

PubChemData

Smile

CCCCN(C)C(=O)C1=C(N=C(N1CC2=CC=C(C=C2)F)CC3=CC=C(C=C3)Cl)NC

DOS

IR

Vibrations