Geometry & MOs

Info

ID:	48045
PubChem CID:	10536770
Reduced:	O2N3C5H11 (1)
Stoich.:	A2B3C5D11 (1)
Weight, g/mol:	218.14781
ΔH_f, kcal/mol:	-75.47
Dipole, Da:	5.29
IP(EA), eV:	-10.07(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hepta-1,6-diynyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Drug info:

PubChemData

Smile

C(CNCC(=N)N)C(=O)O

DOS

IR

Vibrations