Geometry & MOs

Info

ID:	326200
PubChem CID:	126687065
Reduced:	F2N5C11H11 (1)
Stoich.:	A2B5C11D11 (1)
Weight, g/mol:	417.148014
ΔH_f, kcal/mol:	-12.96
Dipole, Da:	3.22
IP(EA), eV:	-8.58(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C(C=NC2=C1C(=CN2)C3NC(=C(C=N3)F)N)F

DOS

IR

Vibrations