Geometry & MOs

Info

ID:	291637
PubChem CID:	113454637
Reduced:	BrClFNOH10C13 (1)
Stoich.:	ABCDEF10G13 (1)
Weight, g/mol:	303.02588
ΔH_f, kcal/mol:	-48.47
Dipole, Da:	3.24
IP(EA), eV:	-9.93(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(5-bromopyridin-3-yl)ethanol

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)Cl)C(CC2=CC(=CN=C2)Br)O

DOS

IR

Vibrations