Geometry & MOs

Info

ID:	385111
PubChem CID:	134978339
Reduced:	OC6H8 (2)
Stoich.:	AB6C8 (2)
Weight, g/mol:	546.426684
ΔH_f, kcal/mol:	-86.88
Dipole, Da:	2.97
IP(EA), eV:	-9.84(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

lithium;bis(ditert-butylphosphanylmethyl)-bis(3,5-dimethylphenyl)boranuide

Drug info:

PubChemData

Smile

CC(=O)[C@H]1[C@@H]2CCC[C@@H]2C=C1C(=O)C

DOS

IR

Vibrations