Geometry & MOs

Info

ID:	310841
PubChem CID:	126588124
Reduced:	FNO2C20H24 (1)
Stoich.:	ABC2D20E24 (1)
Weight, g/mol:	379.05832
ΔH_f, kcal/mol:	-115.92
Dipole, Da:	6.62
IP(EA), eV:	-8.62(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations