Geometry & MOs

Info

ID:	413055
PubChem CID:	135085999
Reduced:	BrF3O3H10C13 (1)
Stoich.:	AB3C3D10E13 (1)
Weight, g/mol:	250.120509
ΔH_f, kcal/mol:	-246.46
Dipole, Da:	3.32
IP(EA), eV:	-10.25(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-methoxyphenyl)-2-oxoethyl] 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

COC(=O)CC(=O)/C(=C/C1=CC=C(C=C1)C(F)(F)F)/Br

DOS

IR

Vibrations