Geometry & MOs

Info

ID:	294578
PubChem CID:	117471581
Reduced:	BrON3H10C12 (1)
Stoich.:	ABC3D10E12 (1)
Weight, g/mol:	291.02702
ΔH_f, kcal/mol:	54.52
Dipole, Da:	4.4
IP(EA), eV:	-8.9(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bromo-6-fluoro-3,4-dimethoxyphenyl)-N-methylethanamine

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)C3(CC3)N=C=O)C(=N1)Br

DOS

IR

Vibrations