Geometry & MOs

Info

ID:	374322
PubChem CID:	131326744
Reduced:	ClO5C9H9 (1)
Stoich.:	AB5C9D9 (1)
Weight, g/mol:	232.03025
ΔH_f, kcal/mol:	-195.77
Dipole, Da:	3.62
IP(EA), eV:	-9.95(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)CC1=C(C=C(O1)Cl)C(=O)O

DOS

IR

Vibrations