Geometry & MOs

Info

ID:	48476
PubChem CID:	10586553
Reduced:	BrO2C10H15 (1)
Stoich.:	AB2C10D15 (1)
Weight, g/mol:	247.079763
ΔH_f, kcal/mol:	-79.42
Dipole, Da:	1.92
IP(EA), eV:	-9.93(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl-(3-oxo-3-thiophen-2-ylpropyl)azanium;chloride

Drug info:

PubChemData

Smile

COC(=O)CC/C=C\C/C=C\CBr

DOS

IR

Vibrations