Geometry & MOs

Info

ID:	225049
PubChem CID:	85735845
Reduced:	BO4H13C15 (1)
Stoich.:	AB4C13D15 (1)
Weight, g/mol:	448.8621
ΔH_f, kcal/mol:	-176.68
Dipole, Da:	3.22
IP(EA), eV:	-9.54(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-hydroxypropyl)-2,6-diiodo-4-nitrophenol

Drug info:

PubChemData

Smile

B(C1=CC=C(C=C1)C2=CC=C(C=C2)C=CC(=O)O)(O)O

DOS

IR

Vibrations