Geometry & MOs

Info

ID:	22265
PubChem CID:	596454
Reduced:	O5C11H12 (1)
Stoich.:	A5B11C12 (1)
Weight, g/mol:	224.068473
ΔH_f, kcal/mol:	-209.74
Dipole, Da:	6.61
IP(EA), eV:	-9.83(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-acetyl-2,4-dihydroxy-6-methylbenzoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1C(=O)OC)O)C(=O)C)O

DOS

IR

Vibrations