Geometry & MOs

Info

ID:	400565
PubChem CID:	135048372
Reduced:	BSC22H42 (1)
Stoich.:	ABC22D42 (1)
Weight, g/mol:	290.27571
ΔH_f, kcal/mol:	-42.9
Dipole, Da:	0.72
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754498
Charge, e:	0

Chem-info

IUPAC name:

lithium;tri(butan-2-yl)-(2-phenylethynyl)boranuide

Drug info:

PubChemData

Smile

[B-](CCCCCC)(CCCCCC)(CCCCCC)C1=CSC=C1

DOS

IR

Vibrations