Geometry & MOs

Info

ID:	55837
PubChem CID:	17396633
Reduced:	BrN2O2H15C16 (1)
Stoich.:	AB2C2D15E16 (1)
Weight, g/mol:	335.072449
ΔH_f, kcal/mol:	-49.84
Dipole, Da:	9.22
IP(EA), eV:	-8.73(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-acetylphenoxy)-N-(4-chloro-2-fluorophenyl)propanamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)NC(=O)C2=CC(=CC=C2)NC(=O)C

DOS

IR

Vibrations