Geometry & MOs

Info

ID:	374513
PubChem CID:	131330720
Reduced:	FOSH7C11 (1)
Stoich.:	ABCD7E11 (1)
Weight, g/mol:	206.094294
ΔH_f, kcal/mol:	-21.33
Dipole, Da:	3.92
IP(EA), eV:	-9.49(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 7-hydroxy-5,6,7,8-tetrahydronaphthalene-1-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)F)C2=CSC=C2C=O

DOS

IR

Vibrations