Geometry & MOs

Info

ID:	368315
PubChem CID:	127327908
Reduced:	SN3O3C19H27 (1)
Stoich.:	AB3C3D19E27 (1)
Weight, g/mol:	366.195486
ΔH_f, kcal/mol:	-127.09
Dipole, Da:	3.03
IP(EA), eV:	-8.88(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-fluoro-4H-1,3-benzodioxin-8-yl)-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]acetamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)CC(CNC(=O)C2=CC3=C(C=C2)SCCC(=O)N3)O

DOS

IR

Vibrations