Geometry & MOs

Info

ID:	25410
PubChem CID:	624411
Reduced:	NOC20H27 (1)
Stoich.:	ABC20D27 (1)
Weight, g/mol:	280.203217
ΔH_f, kcal/mol:	-26.66
Dipole, Da:	1.41
IP(EA), eV:	-8.98(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclooctyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3,2]oxathiaborole

Drug info:

PubChemData

Smile

CCC(=NO)C12CC3CC(C1)CC(C3)(C2)C4=CC=C(C=C4)C

DOS

IR

Vibrations