Geometry & MOs

Info

ID:

429468

PubChem CID:

135169517

Reduced:

ON5H31C50 (1)

Stoich.:

AB5C31D50 (1)

Weight, g/mol:

383.268511

ΔHf, kcal/mol:

247.4

Dipole, Da:

3.3

IP(EA), eV:

 -8.22(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-tert-butyl-3-[2-methyl-2-(1,7-naphthyridin-8-ylamino)propyl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC=CC(=C3)C4=CC=C(C=C4)N5C6=C(C7=C5C8=C(C=C7)N=C(O8)C9=CC=CC=C9)C1=CC=CC=C1C=C6)C1=CC=CC=C1

DOS

IR

Vibrations