Geometry & MOs

Info

ID:	375306
PubChem CID:	131499889
Reduced:	ClN2O2C9H11 (1)
Stoich.:	AB2C2D9E11 (1)
Weight, g/mol:	214.039672
ΔH_f, kcal/mol:	-51.68
Dipole, Da:	3.47
IP(EA), eV:	-10.19(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C1=NN=C(C=C1)Cl)C(=O)OC

DOS

IR

Vibrations