Geometry & MOs

Info

ID:	291636
PubChem CID:	113454538
Reduced:	BrNO2H14C15 (1)
Stoich.:	ABC2D14E15 (1)
Weight, g/mol:	328.96183
ΔH_f, kcal/mol:	-24.88
Dipole, Da:	7.35
IP(EA), eV:	-9.45(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-bromopyridin-3-yl)-1-(2-chloro-4-fluorophenyl)ethanol

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1C(=O)CC2=CC(=CN=C2)Br

DOS

IR

Vibrations