Geometry & MOs

Info

ID:	199476
PubChem CID:	79252413
Reduced:	FNO2C6H7 (2)
Stoich.:	ABC2D6E7 (2)
Weight, g/mol:	279.183444
ΔH_f, kcal/mol:	-178.1
Dipole, Da:	6.49
IP(EA), eV:	-10.23(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-hydroxy-3-methylbutan-2-yl)-4-(2-methylphenoxy)butanamide

Drug info:

PubChemData

Smile

CC(C)C(CO)NC(=O)C1=CC(=C(C=C1F)F)[N+](=O)[O-]

DOS

IR

Vibrations