Geometry & MOs

Info

ID:	150896
PubChem CID:	53790593
Reduced:	OF4H6C10 (1)
Stoich.:	AB4C6D10 (1)
Weight, g/mol:	453.226371
ΔH_f, kcal/mol:	-162.38
Dipole, Da:	1.73
IP(EA), eV:	-10.54(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-4-[2-[[2-hydroxy-3-[(2-oxo-1,3-dihydroindol-4-yl)oxy]propyl]amino]ethoxy]benzamide

Drug info:

PubChemData

Smile

C#CCC(C1=C(C(=C(C=C1)F)F)F)(O)F

DOS

IR

Vibrations