Geometry & MOs

Info

ID:	288781
PubChem CID:	104325781
Reduced:	FNCl2O2H14C15 (1)
Stoich.:	ABC2D2E14F15 (1)
Weight, g/mol:	351.06341
ΔH_f, kcal/mol:	-99.59
Dipole, Da:	5.71
IP(EA), eV:	-8.78(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3-bromophenyl)propyl]-4-ethoxy-3-fluoroaniline

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)NCC2=C(C(=CC(=C2)Cl)Cl)O)F

DOS

IR

Vibrations