Geometry & MOs

Info

ID:

439719

PubChem CID:

135229522

Reduced:

O3N9C37H37 (1)

Stoich.:

A3B9C37D37 (1)

Weight, g/mol:

519.257645

ΔHf, kcal/mol:

98.94

Dipole, Da:

10.34

IP(EA), eV:

 -8.58(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[(2-chloro-3,6-difluorophenyl)methyl]-4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-6,7,8,9,10,11-hexahydro-5H-pyrido[2,3-b]azonine-3-carboxamide

Drug info:

PubChemData

Smile

CO[C@@H](C#CC(=O)NC1=CC2=C(C=C1)NN=C2C3=CC=NC=C3)C4CCN(C4)CC(=O)C5CCN(CC5)C6=NC=C(C=C6)C7=NC=CC=N7

DOS

IR

Vibrations