Geometry & MOs

Info

ID:	393997
PubChem CID:	135022143
Reduced:	OC6H8 (3)
Stoich.:	AB6C8 (3)
Weight, g/mol:	243.960702
ΔH_f, kcal/mol:	-105.99
Dipole, Da:	3.22
IP(EA), eV:	-8.96(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

potassium;[(Z)-2,5-dichloropent-1-enyl]-trifluoroboranuide

Drug info:

PubChemData

Smile

CCCCC/C(=C/C=C\C(=O)OC)/C1=CC=C(C=C1)OC

DOS

IR

Vibrations