Geometry & MOs

Info

ID:	202640
PubChem CID:	79702697
Reduced:	BrNF2H14C15 (1)
Stoich.:	ABC2D14E15 (1)
Weight, g/mol:	329.0027
ΔH_f, kcal/mol:	-53.04
Dipole, Da:	1.67
IP(EA), eV:	-9.45(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromo-5-fluorophenyl)-1-(3,4-difluorophenyl)ethanamine

Drug info:

PubChemData

Smile

CNC(CC1=CC(=CC(=C1)Br)F)C2=CC(=CC=C2)F

DOS

IR

Vibrations