Geometry & MOs

Info

ID:	400577
PubChem CID:	135048393
Reduced:	BC16H28 (1)
Stoich.:	AB16C28 (1)
Weight, g/mol:	310.195154
ΔH_f, kcal/mol:	-23.77
Dipole, Da:	1.04
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.102782
Charge, e:	0

Chem-info

IUPAC name:

2-[(2S,3S)-3-[(Z)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enoxy]oxan-2-yl]acetaldehyde

Drug info:

PubChemData

Smile

[B-](CC)(CC)(CC)C(C)(CC)C1=CC=CC=C1

DOS

IR

Vibrations