Geometry & MOs

Info

ID:	206120
PubChem CID:	80207686
Reduced:	BrClFC12H15 (1)
Stoich.:	ABCD12E15 (1)
Weight, g/mol:	259.02079
ΔH_f, kcal/mol:	-66.55
Dipole, Da:	1.64
IP(EA), eV:	-9.63(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromopyridin-3-yl)-2-propoxyethanol

Drug info:

PubChemData

Smile

CCCC(CCC1=C(C=C(C=C1)Cl)F)Br

DOS

IR

Vibrations