Geometry & MOs

Info

ID:	310849
PubChem CID:	126588187
Reduced:	BrNF2O4C19H20 (1)
Stoich.:	ABC2D4E19F20 (1)
Weight, g/mol:	311.188529
ΔH_f, kcal/mol:	-206.95
Dipole, Da:	7.53
IP(EA), eV:	-8.75(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]-N-methylpropanamide

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1C)OCC2=C(C=CC=C2Br)N(C(=O)OC)O)C(F)F

DOS

IR

Vibrations