Geometry & MOs

Info

ID:	443998
PubChem CID:	135260952
Reduced:	FO2N5C23H28 (1)
Stoich.:	AB2C5D23E28 (1)
Weight, g/mol:	386.174276
ΔH_f, kcal/mol:	-61.29
Dipole, Da:	3.91
IP(EA), eV:	-8.71(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CNC2=NC=CC(=C12)OC3=C(C=C(C=C3)CC(C(=O)N4CC[C@H](C4)N(C)C)N)F

DOS

IR

Vibrations