Geometry & MOs

Info

ID:	326199
PubChem CID:	126687061
Reduced:	ON2C14H28 (1)
Stoich.:	AB2C14D28 (1)
Weight, g/mol:	251.098252
ΔH_f, kcal/mol:	-69.77
Dipole, Da:	2.31
IP(EA), eV:	-8.19(1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-2-(5-fluoro-4,5-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2-dihydropyrimidin-6-amine

Drug info:

PubChemData

Smile

CCOCC(C)CNC(=C)NC1CCCCC1

DOS

IR

Vibrations