Geometry & MOs

Info

ID:

184463

PubChem CID:

77162826

Reduced:

SN3O7C37H47 (1)

Stoich.:

AB3C7D37E47 (1)

Weight, g/mol:

509.300205

ΔHf, kcal/mol:

-200.93

Dipole, Da:

9.58

IP(EA), eV:

 -8.5(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-(2,6-dimethoxypyridin-3-yl)-8-(2-methoxy-5-methyl-4-piperidin-4-ylanilino)-3,4,4a,5,6,7,8,8a-octahydro-2H-2,7-naphthyridin-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CC(C(CC2CC#N)C3=CC=C(C=C3)COCCOC)OCC4=CC5=C(C=C4)OCCN5CCCOC

DOS

IR

Vibrations