Geometry & MOs

Info

ID:	400499
PubChem CID:	135048131
Reduced:	BClSiC16H37 (1)
Stoich.:	ABCD16E37 (1)
Weight, g/mol:	300.298831
ΔH_f, kcal/mol:	-94.15
Dipole, Da:	2.52
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754486
Charge, e:	0

Chem-info

IUPAC name:

methyl-bis[(1R,2S,3R,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]borane

Drug info:

PubChemData

Smile

[B-](CCCC)(CCCC)(CCCC)C([Si](C)(C)C)Cl

DOS

IR

Vibrations