Geometry & MOs

Info

ID:	325989
PubChem CID:	126685920
Reduced:	ION3C8H16 (1)
Stoich.:	ABC3D8E16 (1)
Weight, g/mol:	446.16333
ΔH_f, kcal/mol:	-29.39
Dipole, Da:	4.01
IP(EA), eV:	-8.57(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-2-[[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]methyl]cyclohexyl]-2-methoxyacetamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)CNC(=O)CI

DOS

IR

Vibrations