Geometry & MOs

Info

ID:	380944
PubChem CID:	134971552
Reduced:	O3C18H32 (1)
Stoich.:	A3B18C32 (1)
Weight, g/mol:	320.288661
ΔH_f, kcal/mol:	-141.58
Dipole, Da:	3.19
IP(EA), eV:	-9.77(1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(9-borabicyclo[3.3.1]nonan-9-yl)propyl]-2-hexyl-1,3-dioxolane

Drug info:

PubChemData

Smile

CCCCCCC1(OCCO1)CCCCC#CCCCO

DOS

IR

Vibrations