Geometry & MOs

Info

ID:	273299
PubChem CID:	103770853
Reduced:	NOC7H9 (2)
Stoich.:	ABC7D9 (2)
Weight, g/mol:	347.05323
ΔH_f, kcal/mol:	-57.36
Dipole, Da:	4.32
IP(EA), eV:	-10.06(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bromo-4-fluorophenoxy)-N-(2-hydroxy-4-methylpentyl)acetamide

Drug info:

PubChemData

Smile

CC(C)CC(CNC(=O)C1=CC=CC(=C1)C#N)O

DOS

IR

Vibrations