Geometry & MOs

Info

ID:

312506

PubChem CID:

126606070

Reduced:

BrFON6H24C25 (1)

Stoich.:

ABCD6E24F25 (1)

Weight, g/mol:

483.239416

ΔHf, kcal/mol:

39.11

Dipole, Da:

1.56

IP(EA), eV:

 -8.73(-1.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-fluoro-2-(2-morpholin-4-ylethylamino)benzenecarboximidoyl]-N-(1-methoxypropan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

Drug info:

PubChemData

Smile

CNC1=C(C=CC(=C1)F)C(=N)C2=CN=C3C(=N2)C(=CN3)C(=O)NC4(CCC4)C5=CCC(C=C5)Br

DOS

IR

Vibrations