Geometry & MOs

Info

ID:	26261
PubChem CID:	642637
Reduced:	O2S3H10C18 (1)
Stoich.:	A2B3C10D18 (1)
Weight, g/mol:	138.08521
ΔH_f, kcal/mol:	116.23
Dipole, Da:	7.38
IP(EA), eV:	-8.6(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethynyl-5,5-dimethyl-1,3,2-dioxaborinane

Drug info:

PubChemData

Smile

COC1=CC=C(S1)C#CC2=CC=C(S2)C#CC3=CC=C(S3)C=O

DOS

IR

Vibrations