Geometry & MOs

Info

ID:	294638
PubChem CID:	117476126
Reduced:	FNO2C17H26 (1)
Stoich.:	ABC2D17E26 (1)
Weight, g/mol:	293.94585
ΔH_f, kcal/mol:	-139.63
Dipole, Da:	3.9
IP(EA), eV:	-8.4(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-bromo-4-chloro-3-fluorophenyl)-2-methylpropanoic acid

Drug info:

PubChemData

Smile

CC(C)(C1=C(C=C(C(=C1)CC2CCNCC2)OC)OC)F

DOS

IR

Vibrations