Geometry & MOs

Info

ID:	200821
PubChem CID:	79448798
Reduced:	OF2C6H7 (2)
Stoich.:	AB2C6D7 (2)
Weight, g/mol:	337.04775
ΔH_f, kcal/mol:	-283.89
Dipole, Da:	0.82
IP(EA), eV:	-9.77(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-bromophenoxy)-2-(2-fluorophenyl)butan-1-amine

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(CCOCC(F)(F)F)CO)F

DOS

IR

Vibrations