Geometry & MOs

Info

ID:	420733
PubChem CID:	135114738
Reduced:	N2O2F3C17H19 (1)
Stoich.:	A2B2C3D17E19 (1)
Weight, g/mol:	357.157623
ΔH_f, kcal/mol:	-234.27
Dipole, Da:	5.27
IP(EA), eV:	-9.75(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-(furan-2-yl)methanone

Drug info:

PubChemData

Smile

CN([C@@H]1C[C@@H]2CC(=O)NC[C@@H]2C1)C(=O)C3=CC=CC=C3C(F)(F)F

DOS

IR

Vibrations