Geometry & MOs

Info

ID:	310908
PubChem CID:	126588431
Reduced:	BrNO2F3C19H19 (1)
Stoich.:	ABC2D3E19F19 (1)
Weight, g/mol:	393.07397
ΔH_f, kcal/mol:	-215.41
Dipole, Da:	4.28
IP(EA), eV:	-9.12(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(2-bromo-4-ethyl-5-methylphenoxy)methyl]-3-fluorophenyl]propanamide

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)OCC2=C(C=CC=C2NC(=O)CC)C(F)(F)F)Br

DOS

IR

Vibrations