Geometry & MOs

Info

ID:	310840
PubChem CID:	126588114
Reduced:	NH41C56 (1)
Stoich.:	AB41C56 (1)
Weight, g/mol:	329.179107
ΔH_f, kcal/mol:	240.85
Dipole, Da:	2.18
IP(EA), eV:	-8.75(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-ethyl-2-[(4-ethyl-2-fluorophenoxy)methyl]phenyl]propanamide

Drug info:

PubChemData

Smile

C/C=C\C(=C/C=C)\C1=CC(=CC(=C1)C2=CC=CC(=C2)C3=CC(=CC=C3)C4=CC5=CC=CC=C5C(=N4)C6=CC=C(C7=CC=CC=C76)C8=CC=CC=C8)C9=CC=CC=C9

DOS

IR

Vibrations