Geometry & MOs

Info

ID:	45103
PubChem CID:	10508037
Reduced:	ClO6C36H51 (1)
Stoich.:	AB6C36D51 (1)
Weight, g/mol:	299.197106
ΔH_f, kcal/mol:	-66.76
Dipole, Da:	40.18
IP(EA), eV:	-9.16(-3.49)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

butyl(triphenyl)boranuide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCC1=C2CCC3=C(C2=[O+]C4=CC=CC=C41)C=CC(=C3)OC.[O-]Cl(=O)(=O)=O

DOS

IR

Vibrations