Geometry & MOs

Info

ID:	53320
PubChem CID:	14710364
Reduced:	OC4H6 (3)
Stoich.:	AB4C6 (3)
Weight, g/mol:	224.141244
ΔH_f, kcal/mol:	-141.83
Dipole, Da:	0.84
IP(EA), eV:	-9.24(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-methyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylate

Drug info:

PubChemData

Smile

COC(=O)OC1=C2CCCCC2CCC1

DOS

IR

Vibrations