Geometry & MOs

Info

ID:	287170
PubChem CID:	104233871
Reduced:	BrFNO2H9C11 (1)
Stoich.:	ABCD2E9F11 (1)
Weight, g/mol:	257.142722
ΔH_f, kcal/mol:	-41.88
Dipole, Da:	4.44
IP(EA), eV:	-9.29(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-1-(2-fluoro-6-methoxyphenyl)-5-methoxypentan-1-ol

Drug info:

PubChemData

Smile

COC1=C(C(=CC=C1)F)C2=CC(=NO2)CBr

DOS

IR

Vibrations