Geometry & MOs

Info

ID:	295100
PubChem CID:	117517318
Reduced:	BrFO4C14H16 (1)
Stoich.:	ABC4D14E16 (1)
Weight, g/mol:	346.04159
ΔH_f, kcal/mol:	-194.57
Dipole, Da:	4.46
IP(EA), eV:	-9.41(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(2-bromo-4-methoxy-5-propan-2-yloxyphenyl)-2-hydroxyacetate

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1C2(CCCCC2)C(=O)O)Br)F)O

DOS

IR

Vibrations