Geometry & MOs

Info

ID:	398708
PubChem CID:	135034955
Reduced:	BrO4H15C16 (1)
Stoich.:	AB4C15D16 (1)
Weight, g/mol:	316.111818
ΔH_f, kcal/mol:	-89.83
Dipole, Da:	1.11
IP(EA), eV:	-8.86(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-methoxy-6-(phenylmethoxymethyl)-1,3-benzodioxol-5-yl]boronic acid

Drug info:

PubChemData

Smile

COC1=C(C(=CC2=C1OCO2)COCC3=CC=CC=C3)Br

DOS

IR

Vibrations