Geometry & MOs

Info

ID:	51630
PubChem CID:	12014333
Reduced:	BNO2C44H58 (1)
Stoich.:	ABC2D44E58 (1)
Weight, g/mol:	659.433217
ΔH_f, kcal/mol:	-13.26
Dipole, Da:	15.1
IP(EA), eV:	-7.78(-2.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1-benzothiophen-2-yl)-2-oxoethyl]-tributylazanium;butyl(triphenyl)boranuide

Drug info:

PubChemData

Smile

[B-](CCCC)(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.CCCC[N+](CCCC)(CCCC)CC(=O)C1=CC2=CC=CC=C2O1

DOS

IR

Vibrations