Geometry & MOs

Info

ID:	6822
PubChem CID:	70163
Reduced:	O3H10C12 (1)
Stoich.:	A3B10C12 (1)
Weight, g/mol:	202.062994
ΔH_f, kcal/mol:	-86.18
Dipole, Da:	3.09
IP(EA), eV:	-9.01(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-hydroxynaphthalene-2-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=CC2=CC=CC=C2C=C1O

DOS

IR

Vibrations