Geometry & MOs

Info

ID:	400841
PubChem CID:	135049216
Reduced:	BO9C24H45 (1)
Stoich.:	AB9C24D45 (1)
Weight, g/mol:	614.140166
ΔH_f, kcal/mol:	-562.13
Dipole, Da:	3.98
IP(EA), eV:	-10.53(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

B(OCCCCCC(=O)OCC)(OCCCCCC(=O)OCC)OCCCCCC(=O)OCC

DOS

IR

Vibrations