Geometry & MOs

Info

ID:	443968
PubChem CID:	135260844
Reduced:	O3N4C22H26 (1)
Stoich.:	A3B4C22D26 (1)
Weight, g/mol:	486.243104
ΔH_f, kcal/mol:	-71.72
Dipole, Da:	1.59
IP(EA), eV:	-8.65(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CNC2=NC=CC(=C12)OC3=CC=C(C=C3)CC(C(=O)NC4CCOCC4)N

DOS

IR

Vibrations