Geometry & MOs

Info

ID:	293395
PubChem CID:	117386857
Reduced:	NS2C13H19 (1)
Stoich.:	AB2C13D19 (1)
Weight, g/mol:	251.93528
ΔH_f, kcal/mol:	18.79
Dipole, Da:	1.35
IP(EA), eV:	-8.5(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromo-5-chloro-4-fluorophenyl)ethanol

Drug info:

PubChemData

Smile

CSC1=CC=CC(=C1SC)C2CCNCC2

DOS

IR

Vibrations