Geometry & MOs

Info

ID:	405617
PubChem CID:	135074649
Reduced:	BrO2H13C16 (1)
Stoich.:	AB2C13D16 (1)
Weight, g/mol:	236.17763
ΔH_f, kcal/mol:	21.65
Dipole, Da:	0.6
IP(EA), eV:	-8.6(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-hydroxynonan-5-yl)phenol

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1)Br)C#CC2=CC=CC=C2)OC

DOS

IR

Vibrations