Geometry & MOs

Info

ID:	347093
PubChem CID:	127271597
Reduced:	FSO3N4C18H21 (1)
Stoich.:	ABC3D4E18F21 (1)
Weight, g/mol:	379.22712
ΔH_f, kcal/mol:	-106.85
Dipole, Da:	4.25
IP(EA), eV:	-8.8(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,3-dimethylbutyl)-N-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CSC=N2)C(=O)NCC3=CC(=CC4=C3OCOC4)F

DOS

IR

Vibrations