Geometry & MOs

Info

ID:	408281
PubChem CID:	135081045
Reduced:	BrPO3C8H14 (1)
Stoich.:	ABC3D8E14 (1)
Weight, g/mol:	234.089209
ΔH_f, kcal/mol:	-147.17
Dipole, Da:	1.43
IP(EA), eV:	-10.62(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-O-ethyl 1-O-phenyl (E)-2-methylbut-2-enedioate

Drug info:

PubChemData

Smile

CC(C)OP(=O)(C#CBr)OC(C)C

DOS

IR

Vibrations