Geometry & MOs

Info

ID:	4142
PubChem CID:	10829
Reduced:	O7H16C17 (1)
Stoich.:	A7B16C17 (1)
Weight, g/mol:	332.089603
ΔH_f, kcal/mol:	-269.23
Dipole, Da:	11.43
IP(EA), eV:	-9.6(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-4-(2-hydroxy-4-methoxy-6-methylbenzoyl)oxy-6-methylbenzoic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C(=O)OC2=CC(=C(C(=C2)C)C(=O)O)O)O)OC

DOS

IR

Vibrations