Geometry & MOs

Info

ID:	444034
PubChem CID:	135261089
Reduced:	FO2N7C26H28 (1)
Stoich.:	AB2C7D26E28 (1)
Weight, g/mol:	490.212867
ΔH_f, kcal/mol:	-10.82
Dipole, Da:	3.09
IP(EA), eV:	-8.55(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-[3-fluoro-4-[(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]-1-(4-pyridin-3-yloxypiperidin-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1=CNC2=NC=CC(=C12)OC3=C(C=C(C=C3)CC(C(=O)N4CCN(CC4)CC5=CN=CN=C5)N)F

DOS

IR

Vibrations