Geometry & MOs

Info

ID:	444061
PubChem CID:	135261188
Reduced:	FO2N6C23H27 (1)
Stoich.:	AB2C6D23E27 (1)
Weight, g/mol:	470.211804
ΔH_f, kcal/mol:	-28.91
Dipole, Da:	2.15
IP(EA), eV:	-8.84(-0.39)
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-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1=CNC2=C1C(=NC=N2)OC3=C(C=C(C=C3)CC(C(=O)N4CCN(CC4)C5CC5)N)F

DOS

IR

Vibrations