Geometry & MOs

Info

ID:	375139
PubChem CID:	131472645
Reduced:	ClO3C9H9 (1)
Stoich.:	AB3C9D9 (1)
Weight, g/mol:	200.024022
ΔH_f, kcal/mol:	-123.08
Dipole, Da:	4.44
IP(EA), eV:	-9.66(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-chloro-6-hydroxy-3-methylbenzoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)Cl)C(=O)OC)O

DOS

IR

Vibrations