Geometry & MOs

Info

ID:	170913
PubChem CID:	75300326
Reduced:	BrO4C9H11 (1)
Stoich.:	AB4C9D11 (1)
Weight, g/mol:	144.078644
ΔH_f, kcal/mol:	-139.37
Dipole, Da:	1.49
IP(EA), eV:	-9.43(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hept-6-yne-1,4,5-triol

Drug info:

PubChemData

Smile

C1C(C(OC1C2=CC=C(O2)Br)CO)O

DOS

IR

Vibrations