Geometry & MOs

Info

ID:	24008
PubChem CID:	607442
Reduced:	NB3O6C18H34 (1)
Stoich.:	AB3C6D18E34 (1)
Weight, g/mol:	393.266528
ΔH_f, kcal/mol:	-482.93
Dipole, Da:	2.81
IP(EA), eV:	-10.1(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-5-[2-ethyl-5-(2-ethyl-1,3,2-dioxaborolan-4-yl)-1,3,2-dioxaborolan-4-yl]-3-hexyl-1,3,2-oxazaborolidin-4-one

Drug info:

PubChemData

Smile

B1(N(C(=O)C(O1)C2C(OB(O2)CC)C3COB(O3)CC)CCCCCC)CC

DOS

IR

Vibrations