Geometry & MOs

Info

ID:	154144
PubChem CID:	56313543
Reduced:	BrFN2O3H16C17 (1)
Stoich.:	ABC2D3E16F17 (1)
Weight, g/mol:	396.184921
ΔH_f, kcal/mol:	-56.05
Dipole, Da:	7.41
IP(EA), eV:	-10.01(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(2-fluorophenyl)-2-methylpropyl]benzamide

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)C1=CC(=C(C=C1)Br)[N+](=O)[O-])C2=CC=CC=C2F

DOS

IR

Vibrations