Geometry & MOs

Info

ID:	400541
PubChem CID:	135048272
Reduced:	BOC18H32 (1)
Stoich.:	ABC18D32 (1)
Weight, g/mol:	422.408382
ΔH_f, kcal/mol:	-40.45
Dipole, Da:	6.55
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.790310
Charge, e:	0

Chem-info

IUPAC name:

tris[[(1S,2S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]borane

Drug info:

PubChemData

Smile

[B-]1(C2CCCC1CCC2)(CCCCCC)C(=C=C)OC

DOS

IR

Vibrations