Geometry & MOs

Info

ID:	227845
PubChem CID:	87562690
Reduced:	ClH4N4O4F9C12 (1)
Stoich.:	AB4C4D4E9F12 (1)
Weight, g/mol:	486.207406
ΔH_f, kcal/mol:	-525.15
Dipole, Da:	4.94
IP(EA), eV:	-9.68(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R)-2-[(3'S,4R)-6-chlorospiro[2,3-dihydrochromene-4,4'-pyrrolidine]-3'-yl]-2,4-diphenylpiperidine-1-carbaldehyde

Drug info:

PubChemData

Smile

C1=CC(=NN2C1=NC(=C2)NC(=O)C(F)(F)F)Cl.C(=O)(C(F)(F)F)OC(=O)C(F)(F)F

DOS

IR

Vibrations