Geometry & MOs

Info

ID:	444026
PubChem CID:	135261062
Reduced:	F2N3O3H23C24 (1)
Stoich.:	A2B3C3D23E24 (1)
Weight, g/mol:	473.222703
ΔH_f, kcal/mol:	-139.29
Dipole, Da:	2.57
IP(EA), eV:	-8.7(-0.74)
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-phenylpiperazin-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)C(=O)OC)NC2=NC=CC3=C2N(CCO3)CC4=CC(=C(C=C4)F)F

DOS

IR

Vibrations