Geometry & MOs

Info

ID:	187497
PubChem CID:	77581121
Reduced:	Cl2N2F3O6C28H29 (1)
Stoich.:	A2B2C3D6E28F29 (1)
Weight, g/mol:	490.187064
ΔH_f, kcal/mol:	-380.98
Dipole, Da:	5.24
IP(EA), eV:	-8.97(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(6-chlorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)-2-hydroxypropoxy]-4-hydroxy-N-(2-methoxyethyl)benzamide

Drug info:

PubChemData

Smile

C1CN(CC1OC(=O)C(F)(F)F)C(=O)C2=C(C=CC(=C2)Cl)OCC(CN3CCC4(CC3)CC5=C(O4)C=CC(=C5)Cl)O

DOS

IR

Vibrations