Geometry & MOs

Info

ID:	311529
PubChem CID:	126593578
Reduced:	BrFN4O4C19H24 (1)
Stoich.:	ABC4D4E19F24 (1)
Weight, g/mol:	463.06553
ΔH_f, kcal/mol:	-145.5
Dipole, Da:	0.46
IP(EA), eV:	-9.5(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(3-bromo-4-fluorophenyl)imino-2-(hydroxyamino)acetyl]-N-pyridin-2-ylpiperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)C(=NC2=CC(=C(C=C2)F)Br)NO)C(=O)NC3CCOCC3

DOS

IR

Vibrations