Geometry & MOs

Info

ID:

435120

PubChem CID:

135181099

Reduced:

F2Cl4O9N12C53H54 (1)

Stoich.:

A2B4C9D12E53F54 (1)

Weight, g/mol:

414.145868

ΔHf, kcal/mol:

-270.75

Dipole, Da:

6.36

IP(EA), eV:

 -8.2(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-(2-chloro-3,5-dimethoxy-6-methylphenyl)-5-(3-methoxyazetidin-1-yl)-2,6-naphthyridin-3-amine

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1Cl)C2=NC(=C3C(=C2)C=NC(=N3)N[C@@H]4COC[C@@H]4NC(=O)C=C)N5CCC(C5)OCCOC6=C(C(=C(C(=C6)OC)Cl)C7=NC(=C8C(=C7)C=NC(=N8)N[C@@H]9COC[C@@H]9NC(=O)C=C)N1CCC(C1)(F)F)Cl)Cl)OC

DOS

IR

Vibrations