Geometry & MOs

Info

ID:

312501

PubChem CID:

126605954

Reduced:

FON6C21H23 (1)

Stoich.:

ABC6D21E23 (1)

Weight, g/mol:

471.158579

ΔHf, kcal/mol:

-5.61

Dipole, Da:

2.3

IP(EA), eV:

 -8.78(-1.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[C-[4-chloro-2-(methylamino)phenyl]-N-methylcarbonimidoyl]-N-[(2R)-1-(3-fluoroazetidin-1-yl)-1-oxopropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

Drug info:

PubChemData

Smile

CC1(CCCC1)NC(=O)C2=CNC3=NC=C(N=C23)C(=N)C4=C(C=C(C=C4)F)NC

DOS

IR

Vibrations