Geometry & MOs

Info

ID:	291393
PubChem CID:	112303289
Reduced:	BrFNO2C12H15 (1)
Stoich.:	ABCD2E12F15 (1)
Weight, g/mol:	334.225643
ΔH_f, kcal/mol:	-129.5
Dipole, Da:	3.76
IP(EA), eV:	-10.02(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(2-hydroxy-2-phenylethyl)morpholin-4-yl]-N-(2-methylbutan-2-yl)acetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations