Geometry & MOs

Info

ID:	326151
PubChem CID:	126686761
Reduced:	NOC9H15 (1)
Stoich.:	ABC9D15 (1)
Weight, g/mol:	473.174229
ΔH_f, kcal/mol:	-19.75
Dipole, Da:	4.25
IP(EA), eV:	-8.84(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-3-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]morpholine-4-carboxamide

Drug info:

PubChemData

Smile

C/C(=C/C(=O)C1CC1)/CNC

DOS

IR

Vibrations