Geometry & MOs

Info

ID:	444036
PubChem CID:	135261092
Reduced:	FN4O4C22H25 (1)
Stoich.:	AB4C4D22E25 (1)
Weight, g/mol:	413.222703
ΔH_f, kcal/mol:	-154.72
Dipole, Da:	0.71
IP(EA), eV:	-8.91(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COCCC1NC(=O)[C@H](CC2=CC(=C(C=C2)OC3=C4C(=CNC4=NC=C3)CO)F)N

DOS

IR

Vibrations