Geometry & MOs

Info

ID:	231878
PubChem CID:	87574838
Reduced:	ClO2F3N4H18C25 (1)
Stoich.:	AB2C3D4E18F25 (1)
Weight, g/mol:	479.293663
ΔH_f, kcal/mol:	-62.01
Dipole, Da:	6.28
IP(EA), eV:	-9.24(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3'S,5R)-1'-[(2R,4S)-2,4-diphenylpiperidin-1-yl]-2-ethylspiro[7,8-dihydro-6H-quinoline-5,4'-pyrrolidine]-3'-carbaldehyde

Drug info:

PubChemData

Smile

C#CC1CC=CCN1C(=O)C2=C(N3C=C(C=C(C3=N2)C(F)(F)F)C4=COC=C4)Cl.C1=CC=NC=C1

DOS

IR

Vibrations