Geometry & MOs

Info

ID:	444004
PubChem CID:	135260974
Reduced:	FO2N5H24C25 (1)
Stoich.:	AB2C5D24E25 (1)
Weight, g/mol:	474.206719
ΔH_f, kcal/mol:	-28.48
Dipole, Da:	4.49
IP(EA), eV:	-8.54(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-[3-fluoro-4-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]-1-(2-phenylmorpholin-4-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1=CNC2=NC=CC(=C12)OC3=C(C=C(C=C3)CC(C(=O)N4CCC5=C(C4)C=NC=C5)N)F

DOS

IR

Vibrations