Geometry & MOs

Info

ID:	283309
PubChem CID:	103973208
Reduced:	BrFO4C15H18 (1)
Stoich.:	ABC4D15E18 (1)
Weight, g/mol:	352.03102
ΔH_f, kcal/mol:	-211.38
Dipole, Da:	3.72
IP(EA), eV:	-9.75(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-(4-bromophenyl)-2-prop-2-ynylpropanedioate

Drug info:

PubChemData

Smile

CCOC(=O)C(CCF)(C1=CC=C(C=C1)Br)C(=O)OCC

DOS

IR

Vibrations