Geometry & MOs

Info

ID:	311000
PubChem CID:	126588759
Reduced:	BrNO3C18H20 (1)
Stoich.:	ABC3D18E20 (1)
Weight, g/mol:	343.194757
ΔH_f, kcal/mol:	-99.97
Dipole, Da:	5.2
IP(EA), eV:	-8.83(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-[2-[(4-ethyl-2-methylphenoxy)methyl]-3-fluorophenyl]propanamide

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1C)OCC2=CC=CC=C2NC(=O)OC)Br

DOS

IR

Vibrations