Geometry & MOs

Info

ID:

440104

PubChem CID:

135230004

Reduced:

OF2N8C29H32 (1)

Stoich.:

AB2C8D29E32 (1)

Weight, g/mol:

494.260566

ΔHf, kcal/mol:

-18.05

Dipole, Da:

4.02

IP(EA), eV:

 -8.14(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[5-[(3,6-difluoro-2-methylphenyl)methyl]-7,8-dihydro-6H-pyrazino[2,3-b]pyrazin-3-yl]-N-[4-(methylamino)butyl]cyclohepta-1,4,6-triene-1-carboxamide

Drug info:

PubChemData

Smile

CCCN(CCC)C1=CC=CC(=C1)C2=CN=C3C(=N2)N(CCN3)CC4=C(C=CC(=C4N5C=CC(=NC5=O)N)F)F

DOS

IR

Vibrations