Geometry & MOs

Info

ID:	443990
PubChem CID:	135260940
Reduced:	O2N4C23H28 (1)
Stoich.:	A2B4C23D28 (1)
Weight, g/mol:	426.206719
ΔH_f, kcal/mol:	-40.75
Dipole, Da:	4.72
IP(EA), eV:	-8.44(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-cyclohexyl-3-[3-fluoro-4-[[3-(hydroxymethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]propanamide

Drug info:

PubChemData

Smile

CC1=CNC2=NC=CC(=C12)OC3=CC=C(C=C3)C[C@@H](C(=O)NC4CCCCC4)N

DOS

IR

Vibrations