Geometry & MOs

Info

ID:	347092
PubChem CID:	127271596
Reduced:	FN2O3C20H21 (1)
Stoich.:	AB2C3D20E21 (1)
Weight, g/mol:	392.13184
ΔH_f, kcal/mol:	-129.66
Dipole, Da:	4.18
IP(EA), eV:	-9.23(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C1CC2=CC=CC=C2C1)C(=O)NCC3=CC(=CC4=C3OCOC4)F

DOS

IR

Vibrations