Geometry & MOs

Info

ID:	202681
PubChem CID:	79709615
Reduced:	BrFNOC16H17 (1)
Stoich.:	ABCDE16F17 (1)
Weight, g/mol:	343.01835
ΔH_f, kcal/mol:	-51.33
Dipole, Da:	1.41
IP(EA), eV:	-8.7(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromo-5-fluorophenyl)-1-(3,5-difluorophenyl)-N-methylethanamine

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CC(CC2=CC(=CC(=C2)Br)F)N

DOS

IR

Vibrations