Geometry & MOs

Info

ID:	443991
PubChem CID:	135260941
Reduced:	FO3N4C23H27 (1)
Stoich.:	AB3C4D23E27 (1)
Weight, g/mol:	458.09535
ΔH_f, kcal/mol:	-124.44
Dipole, Da:	3.94
IP(EA), eV:	-8.88(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations