Geometry & MOs

Info

ID:	443993
PubChem CID:	135260945
Reduced:	FO2N6C23H23 (1)
Stoich.:	AB2C6D23E23 (1)
Weight, g/mol:	400.189926
ΔH_f, kcal/mol:	-25.09
Dipole, Da:	4.48
IP(EA), eV:	-8.86(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-amino-N-benzyl-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)C[C@@H](C(=O)NCCC4=CC=NC=C4)N)F

DOS

IR

Vibrations