Geometry & MOs

Info

ID:	362649
PubChem CID:	127308927
Reduced:	FSN3O4C18H20 (1)
Stoich.:	ABC3D4E18F20 (1)
Weight, g/mol:	349.18017
ΔH_f, kcal/mol:	-154.48
Dipole, Da:	3.49
IP(EA), eV:	-9.09(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)NCCC2=CC(=CC3=C2OCOC3)F)C4=NC=CS4

DOS

IR

Vibrations