Geometry & MOs

Info

ID:	400871
PubChem CID:	135049307
Reduced:	BNC2Cl3H6 (1)
Stoich.:	ABC2D3E6 (1)
Weight, g/mol:	508.466855
ΔH_f, kcal/mol:	-108.89
Dipole, Da:	8.34
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.765260
Charge, e:	0

Chem-info

IUPAC name:

dilithium;N-[[3-(diethylaminomethyl)benzene-2-id-1-yl]methyl]-N-ethylethanamine

Drug info:

PubChemData

Smile

[B-](N(C)C)(Cl)(Cl)Cl

DOS

IR

Vibrations