Geometry & MOs

Info

ID:

440037

PubChem CID:

135229922

Reduced:

F2O2N5C24H25 (1)

Stoich.:

A2B2C5D24E25 (1)

Weight, g/mol:

553.216843

ΔHf, kcal/mol:

-75.57

Dipole, Da:

1.64

IP(EA), eV:

 -8.36(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-pyrazino[2,3-b]pyrazin-3-yl]phenyl]-(4-imidazolidin-1-ylpiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

C1CNC2=NC=C(N=C2N(C1)CC3=C(C=CC(=C3O)F)F)C4=CC(=CC=C4)N5CCOCC5

DOS

IR

Vibrations