Geometry & MOs

Info

ID:	424997
PubChem CID:	135124771
Reduced:	BrN2O2F4C13H13 (1)
Stoich.:	AB2C2D4E13F13 (1)
Weight, g/mol:	447.215806
ΔH_f, kcal/mol:	-248.84
Dipole, Da:	0.91
IP(EA), eV:	-9.7(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(1-methylisoquinolin-6-yl)-N-propan-2-yloxyspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxamide

Drug info:

PubChemData

Smile

C[C@]1(C(COC(=N1)N)OCC(F)(F)F)C2=C(C=CC(=C2)Br)F

DOS

IR

Vibrations