Geometry & MOs

Info

ID:	347104
PubChem CID:	127271608
Reduced:	FN3O5C17H22 (1)
Stoich.:	AB3C5D17E22 (1)
Weight, g/mol:	380.185983
ΔH_f, kcal/mol:	-230.36
Dipole, Da:	2.83
IP(EA), eV:	-9.27(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCC(=O)N1CCN(CC1)C(=O)NCC2=CC(=CC3=C2OCOC3)F

DOS

IR

Vibrations