Geometry & MOs

Info

ID:	420140
PubChem CID:	135111383
Reduced:	N2O3C17H24 (1)
Stoich.:	A2B3C17D24 (1)
Weight, g/mol:	389.119399
ΔH_f, kcal/mol:	-95.5
Dipole, Da:	4.75
IP(EA), eV:	-9.68(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-chloro-4-fluorophenyl)-(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methanone

Drug info:

PubChemData

Smile

CO[C@@H]1C[C@@H](CC[C@@H]1O)C(=O)N(CC2=CN=CC=C2)C3CC3

DOS

IR

Vibrations