Geometry & MOs

Info

ID:	443976
PubChem CID:	135260890
Reduced:	FO2N5H24C25 (1)
Stoich.:	AB2C5D24E25 (1)
Weight, g/mol:	382.200491
ΔH_f, kcal/mol:	-28.98
Dipole, Da:	2.2
IP(EA), eV:	-8.82(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CNC2=C1C(=NC=N2)OC3=C(C=C(C=C3)CC(C(=O)N4CCC5=CC=CC=C5C4)N)F

DOS

IR

Vibrations