Geometry & MOs

Info

ID:	13467
PubChem CID:	234415
Reduced:	O5C13H16 (1)
Stoich.:	A5B13C16 (1)
Weight, g/mol:	252.099774
ΔH_f, kcal/mol:	-211.12
Dipole, Da:	6.8
IP(EA), eV:	-9.15(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-3-(hydroxymethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid

Drug info:

PubChemData

Smile

COC1=CC2=C(CC(C(C2O)CO)C(=O)O)C=C1

DOS

IR

Vibrations