Geometry & MOs

Info

ID:

433893

PubChem CID:

135174040

Reduced:

PO3N6C23H31 (1)

Stoich.:

AB3C6D23E31 (1)

Weight, g/mol:

619.307102

ΔHf, kcal/mol:

-18.01

Dipole, Da:

4.29

IP(EA), eV:

 -8.21(0.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-fluoro-3-[3-[[3-[(2-hydroxyethylamino)methyl]-1,7-naphthyridin-8-yl]amino]-2-methylphenyl]phenyl]-5-(piperidin-1-ylmethyl)pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C[C@H](CN1C=NC2=C(NNC21)N)OCP(NCCOCC3=CC=CC=C3)OC4=CC=CC=C4

DOS

IR

Vibrations