Geometry & MOs

Info

ID:	273456
PubChem CID:	103771153
Reduced:	BrFNO2C13H17 (1)
Stoich.:	ABCD2E13F17 (1)
Weight, g/mol:	240.127406
ΔH_f, kcal/mol:	-131.91
Dipole, Da:	4.68
IP(EA), eV:	-9.94(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-N-(2-hydroxy-4-methylpentyl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC(CNC(=O)C1=C(C=CC=C1Br)F)O

DOS

IR

Vibrations