Geometry & MOs

Info

ID:	400609
PubChem CID:	135048506
Reduced:	BLiC18H36 (1)
Stoich.:	ABC18D36 (1)
Weight, g/mol:	263.291006
ΔH_f, kcal/mol:	-78.9
Dipole, Da:	6.82
IP(EA), eV:	-8.5(2.18)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

3,3-dimethylbut-1-ynyl-tris(2-methylpropyl)boranuide

Drug info:

PubChemData

Smile

[Li+].[B-](CC(C)C)(CC(C)C)(CC(C)C)C#CC(C)(C)C

DOS

IR

Vibrations