Geometry & MOs

Info

ID:	347111
PubChem CID:	127271615
Reduced:	FN4O4C19H25 (1)
Stoich.:	AB4C4D19E25 (1)
Weight, g/mol:	394.201634
ΔH_f, kcal/mol:	-168.78
Dipole, Da:	6.92
IP(EA), eV:	-9.34(-0.75)
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-oxo-2-(propan-2-ylamino)ethyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC1NC(=O)CN2CCN(CC2)C(=O)NCC3=CC(=CC4=C3OCOC4)F

DOS

IR

Vibrations