Geometry & MOs

Info

ID:	406886
PubChem CID:	135078835
Reduced:	NOC6H6 (2)
Stoich.:	ABC6D6 (2)
Weight, g/mol:	250.023727
ΔH_f, kcal/mol:	-0.18
Dipole, Da:	2.46
IP(EA), eV:	-8.93(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

potassium;4-methyl-1-thiophen-2-yl-2,6,7-trioxa-1-boranuidabicyclo[2.2.2]octane

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C=C/CO/C(=C/[N+]#N)/[O-]

DOS

IR

Vibrations