Geometry & MOs

Info

ID:	288782
PubChem CID:	104325786
Reduced:	BrFNOC17H19 (1)
Stoich.:	ABCDE17F19 (1)
Weight, g/mol:	371.00878
ΔH_f, kcal/mol:	-51.91
Dipole, Da:	1.46
IP(EA), eV:	-8.06(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-bromo-2-chlorophenyl)ethyl]-4-ethoxy-3-fluoroaniline

Drug info:

PubChemData

Smile

CCC(C1=CC(=CC=C1)Br)NC2=CC(=C(C=C2)OCC)F

DOS

IR

Vibrations