Geometry & MOs

Info

ID:	347109
PubChem CID:	127271613
Reduced:	FN3O3C21H24 (1)
Stoich.:	AB3C3D21E24 (1)
Weight, g/mol:	390.170333
ΔH_f, kcal/mol:	-120.11
Dipole, Da:	5.15
IP(EA), eV:	-8.44(-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-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(C(C1)C2=CC=CC=C2)C(=O)NCC3=CC(=CC4=C3OCOC4)F

DOS

IR

Vibrations