Geometry & MOs

Info

ID:	371974
PubChem CID:	131283370
Reduced:	NO5C10H11 (1)
Stoich.:	AB5C10D11 (1)
Weight, g/mol:	275.94335
ΔH_f, kcal/mol:	-164.58
Dipole, Da:	3.91
IP(EA), eV:	-9.17(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(3-bromo-2-fluoro-4-hydroxyphenyl)-2-oxoacetate

Drug info:

PubChemData

Smile

CC(C)C1C(=O)NC2=C(O1)C=C(O2)C(=O)O

DOS

IR

Vibrations