Geometry & MOs

Info

ID:

431178

PubChem CID:

135171248

Reduced:

ClO3N7C35H36 (1)

Stoich.:

AB3C7D35E36 (1)

Weight, g/mol:

472.300225

ΔHf, kcal/mol:

-21.47

Dipole, Da:

9.45

IP(EA), eV:

 -8.67(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[2-fluoro-3-(methylamino)phenyl]-2-methyl-N-[(Z)-1-[5-[[prop-1-en-2-yl(propyl)amino]methyl]pyridin-2-yl]but-1-enyl]aniline

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C2=NC=C(C=C2)CN3CCN(C3=O)C)C4=C(C(=CC=C4)NC(=O)C5=NC=C(C=C5)CN6CCCC6)Cl

DOS

IR

Vibrations