Geometry & MOs

Info

ID:	292956
PubChem CID:	117366882
Reduced:	BrFNO2H5C8 (1)
Stoich.:	ABCD2E5F8 (1)
Weight, g/mol:	245.02154
ΔH_f, kcal/mol:	-79.56
Dipole, Da:	3.29
IP(EA), eV:	-9.55(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromo-2-fluoro-3-methylphenyl)propan-2-amine

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1F)O)Br)CN=C=O

DOS

IR

Vibrations