Geometry & MOs

Info

ID:	347090
PubChem CID:	127271594
Reduced:	FN2O4C19H19 (1)
Stoich.:	AB2C4D19E19 (1)
Weight, g/mol:	309.112484
ΔH_f, kcal/mol:	-170.22
Dipole, Da:	5.95
IP(EA), eV:	-9.29(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1[C@@H]([C@@H](C2=CC=CC=C21)NC(=O)NCC3=CC(=CC4=C3OCOC4)F)O

DOS

IR

Vibrations