Geometry & MOs

Info

ID:	443957
PubChem CID:	135260796
Reduced:	ON3C16H16 (2)
Stoich.:	AB3C16D16 (2)
Weight, g/mol:	411.207053
ΔH_f, kcal/mol:	53.8
Dipole, Da:	3.08
IP(EA), eV:	-8.72(-0.69)
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]-N-[(1-methylazetidin-3-yl)methyl]propanamide

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CC=CC=C2)C(=O)C(CC3=CC=C(C=C3)OC4=C5C(=CNC5=NC=C4)C6=CC=NC=C6)N

DOS

IR

Vibrations