Geometry & MOs

Info

ID:	202683
PubChem CID:	79709710
Reduced:	FNSBr2H14C15 (1)
Stoich.:	ABCD2E14F15 (1)
Weight, g/mol:	337.04775
ΔH_f, kcal/mol:	-2.79
Dipole, Da:	2.37
IP(EA), eV:	-8.93(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-bromo-5-fluorophenyl)methyl]-4-propoxyaniline

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Br)SCC(CC2=CC(=CC(=C2)Br)F)N

DOS

IR

Vibrations