Geometry & MOs

Info

ID:	277625
PubChem CID:	103829973
Reduced:	FSN2O4C12H17 (1)
Stoich.:	ABC2D4E12F17 (1)
Weight, g/mol:	281.153955
ΔH_f, kcal/mol:	-220.63
Dipole, Da:	8.21
IP(EA), eV:	-9.23(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-fluoro-2-hydroxybenzamide

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)C1=C(C=C(C=C1)F)O)NS(=O)(=O)C

DOS

IR

Vibrations