Geometry & MOs

Info

ID:	415737
PubChem CID:	135088737
Reduced:	ClFN2O2C17H20 (1)
Stoich.:	ABC2D2E17F20 (1)
Weight, g/mol:	399.168188
ΔH_f, kcal/mol:	-139.85
Dipole, Da:	6.85
IP(EA), eV:	-9.56(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN([C@@H]1C[C@@H]2CC(=O)NC[C@@H]2C1)C(=O)CC3=C(C=C(C=C3)F)Cl

DOS

IR

Vibrations