Geometry & MOs

Info

ID:	309120
PubChem CID:	126537899
Reduced:	FN5C18H18 (1)
Stoich.:	AB5C18D18 (1)
Weight, g/mol:	338.109151
ΔH_f, kcal/mol:	59.03
Dipole, Da:	0.67
IP(EA), eV:	-8.43(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-fluoro-6-methylpyridin-2-yl)-N-(3-fluoropyridin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC/C=C(\C(=C/C)\F)/NC1=NC(=NC2=C1C=CN2)C3=CC=CC=N3

DOS

IR

Vibrations