Geometry & MOs

Info

ID:

435114

PubChem CID:

135180894

Reduced:

Cl2O5N6C28H31 (2)

Stoich.:

A2B5C6D28E31 (2)

Weight, g/mol:

413.150619

ΔHf, kcal/mol:

-227.65

Dipole, Da:

3.68

IP(EA), eV:

 -8.41(-1.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(2-chloro-3,5-dimethoxy-6-methylphenyl)-1-(3-methoxyazetidin-1-yl)-7-methyl-2,6-naphthyridine

Drug info:

PubChemData

Smile

CC1CN(CC(O1)CCOC2=C(C(=C(C(=C2)OC)Cl)C3=NC(=C4C(=C3)C=NC(=N4)N[C@@H]5COC[C@@H]5NC(=O)C=C)N6CCC(CC6)OC)Cl)C7=C8C(=CC(=N7)C9=C(C(=CC(=C9Cl)OC)OC)Cl)C=NC(=N8)N[C@@H]1COC[C@@H]1NC(=O)C=C

DOS

IR

Vibrations