Geometry & MOs

Info

ID:	347088
PubChem CID:	127271592
Reduced:	FSN3O5C16H22 (1)
Stoich.:	ABC3D5E16F22 (1)
Weight, g/mol:	377.136254
ΔH_f, kcal/mol:	-236.84
Dipole, Da:	5.84
IP(EA), eV:	-9.12(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCCN(CC1)C(=O)NCC2=CC(=CC3=C2OCOC3)F

DOS

IR

Vibrations