Geometry & MOs

Info

ID:	374249
PubChem CID:	131325828
Reduced:	ON4C11H20 (1)
Stoich.:	AB4C11D20 (1)
Weight, g/mol:	232.03025
ΔH_f, kcal/mol:	-16.87
Dipole, Da:	4.06
IP(EA), eV:	-8.87(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(3-chloro-4-fluoro-5-hydroxyphenyl)propanoate

Drug info:

PubChemData

Smile

CC1=CN=C(N1C)C(CN)N2CCOCC2

DOS

IR

Vibrations