Geometry & MOs

Info

ID:	371078
PubChem CID:	127342306
Reduced:	FO3N4C19H23 (1)
Stoich.:	AB3C4D19E23 (1)
Weight, g/mol:	391.165582
ΔH_f, kcal/mol:	-115.23
Dipole, Da:	4.74
IP(EA), eV:	-9.3(-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-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1CN2C=CC=N2)C(=O)NCC3=CC(=CC4=C3OCOC4)F

DOS

IR

Vibrations