Geometry & MOs

Info

ID:

145166

PubChem CID:

53473513

Reduced:

INO6C30H40 (1)

Stoich.:

ABC6D30E40 (1)

Weight, g/mol:

428.290535

ΔHf, kcal/mol:

-213.96

Dipole, Da:

3.95

IP(EA), eV:

 -8.49(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-(methoxymethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Drug info:

PubChemData

Smile

CCN(CC)C(=O)O[C@@]1(C[C@@H](C(=C1I)C)OCC2=CC=C(C=C2)OC)[C@H](C)COCC3=CC=C(C=C3)OC

DOS

IR

Vibrations