Geometry & MOs

Info

ID:	76905
PubChem CID:	48425556
Reduced:	BrFN3O3C16H21 (1)
Stoich.:	ABC3D3E16F21 (1)
Weight, g/mol:	326.13972
ΔH_f, kcal/mol:	-172.4
Dipole, Da:	2.96
IP(EA), eV:	-9.61(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chloro-5-methylphenoxy)-N-[2-(diethylamino)-2-oxoethyl]propanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations