Geometry & MOs

Info

ID:	263972
PubChem CID:	103411594
Reduced:	FNO3C16H26 (1)
Stoich.:	ABC3D16E26 (1)
Weight, g/mol:	436.9016
ΔH_f, kcal/mol:	-165.98
Dipole, Da:	1.21
IP(EA), eV:	-9.03(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dibromo-N-[1-(2-chloro-4-fluorophenyl)ethyl]-5-methoxyaniline

Drug info:

PubChemData

Smile

CCC(CC1=C(C(=CC=C1)F)OCCCOCCOC)N

DOS

IR

Vibrations