Geometry & MOs

Info

ID:	282187
PubChem CID:	103918264
Reduced:	FN2O3C12H17 (1)
Stoich.:	AB2C3D12E17 (1)
Weight, g/mol:	211.132077
ΔH_f, kcal/mol:	-102.93
Dipole, Da:	6.36
IP(EA), eV:	-9.22(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-hydroxyhexylamino)-1H-pyrazin-2-one

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)F)[N+](=O)[O-])NCCCCCCO

DOS

IR

Vibrations