Geometry & MOs

Info

ID:	443989
PubChem CID:	135260938
Reduced:	FO3N4C23H27 (1)
Stoich.:	AB3C4D23E27 (1)
Weight, g/mol:	392.221226
ΔH_f, kcal/mol:	-124.04
Dipole, Da:	4.32
IP(EA), eV:	-8.89(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)[C@H](CC2=CC(=C(C=C2)OC3=C4C(=CNC4=NC=C3)CO)F)N

DOS

IR

Vibrations