Geometry & MOs

Info

ID:	282299
PubChem CID:	103921698
Reduced:	NF2O2C9H17 (1)
Stoich.:	AB2C2D9E17 (1)
Weight, g/mol:	289.04775
ΔH_f, kcal/mol:	-198.41
Dipole, Da:	4.91
IP(EA), eV:	-9.57(1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[1-(3-bromo-5-fluorophenyl)propylamino]propan-1-ol

Drug info:

PubChemData

Smile

CCOC1CC(C1)NCC(C(F)F)O

DOS

IR

Vibrations