Geometry & MOs

Info

ID:

83251

PubChem CID:

49857354

Reduced:

OPN2H30C39 (1)

Stoich.:

ABC2D30E39 (1)

Weight, g/mol:

246.155788

ΔHf, kcal/mol:

164.82

Dipole, Da:

5.07

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.891787

Charge, e:

 0

Chem-info

IUPAC name:

2-(1-chloro-3,3-dimethylbutyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@H]2[C@@H](N(C(=N2)[C]3[CH][CH][CH][C]3P(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)C6=CC=CC=C6)C7=CC=CC=C7

DOS

IR

Vibrations