Geometry & MOs

Info

ID:	347424
PubChem CID:	127272273
Reduced:	NOC9H13 (2)
Stoich.:	ABC9D13 (2)
Weight, g/mol:	391.136591
ΔH_f, kcal/mol:	-101.78
Dipole, Da:	4.79
IP(EA), eV:	-9.47(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-4-(1,3-thiazol-2-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CCC1CCCCC1NC(=O)N[C@@H]2[C@@H](CC3=CC=CC=C23)O

DOS

IR

Vibrations