Geometry & MOs

Info

ID:	372952
PubChem CID:	131307411
Reduced:	ISO3H5C10 (1)
Stoich.:	ABC3D5E10 (1)
Weight, g/mol:	196.073559
ΔH_f, kcal/mol:	-46.95
Dipole, Da:	6.3
IP(EA), eV:	-9.57(-2.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-hydroxy-2-methoxy-4-methylbenzoate

Drug info:

PubChemData

Smile

C1=CC(=C2C(=C1)SC(=C2C(=O)O)I)C=O

DOS

IR

Vibrations