Geometry & MOs

Info

ID:	443995
PubChem CID:	135260947
Reduced:	ON2C12H15 (2)
Stoich.:	AB2C12D15 (2)
Weight, g/mol:	400.189926
ΔH_f, kcal/mol:	-42.72
Dipole, Da:	4.5
IP(EA), eV:	-8.46(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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=NC=CC(=C12)OC3=CC=C(C=C3)C[C@@H](C(=O)NCC4CCCCC4)N

DOS

IR

Vibrations