Geometry & MOs

Info

ID:	272636
PubChem CID:	103750640
Reduced:	BrFON2C12H16 (1)
Stoich.:	ABCD2E12F16 (1)
Weight, g/mol:	309.01645
ΔH_f, kcal/mol:	-83.44
Dipole, Da:	5.33
IP(EA), eV:	-8.63(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-5-fluoro-N-[(3-methoxyphenyl)methyl]aniline

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CNC1=C(C=CC(=C1)F)Br

DOS

IR

Vibrations