Geometry & MOs

Info

ID:	293760
PubChem CID:	117400626
Reduced:	ClFON2C12H16 (1)
Stoich.:	ABCD2E12F16 (1)
Weight, g/mol:	257.95277
ΔH_f, kcal/mol:	-63.88
Dipole, Da:	3.44
IP(EA), eV:	-8.99(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bromo-5-methoxyphenyl)-2-oxoacetic acid

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1F)Cl)CN2CCNCC2

DOS

IR

Vibrations