Geometry & MOs

Info

ID:	443953
PubChem CID:	135260771
Reduced:	O2N4C23H28 (1)
Stoich.:	A2B4C23D28 (1)
Weight, g/mol:	390.149204
ΔH_f, kcal/mol:	-28.25
Dipole, Da:	3.83
IP(EA), eV:	-8.81(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-N-phenylpropanamide

Drug info:

PubChemData

Smile

CN[C@@H](CC1=CC=C(C=C1)OC2=C3C=CNC3=NC=C2)C(=O)NC4CCCCC4

DOS

IR

Vibrations