Geometry & MOs

Info

ID:	273455
PubChem CID:	103771151
Reduced:	ClN3O4C12H16 (1)
Stoich.:	AB3C4D12E16 (1)
Weight, g/mol:	317.04267
ΔH_f, kcal/mol:	-82.06
Dipole, Da:	3.61
IP(EA), eV:	-10.34(-2.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-6-fluoro-N-(2-hydroxy-4-methylpentyl)benzamide

Drug info:

PubChemData

Smile

CC(C)CC(CNC(=O)C1=C(C(=NC=C1)Cl)[N+](=O)[O-])O

DOS

IR

Vibrations