Geometry & MOs

Info

ID:	6931
PubChem CID:	70546
Reduced:	O3C12H14 (1)
Stoich.:	A3B12C14 (1)
Weight, g/mol:	206.094294
ΔH_f, kcal/mol:	-99.02
Dipole, Da:	4.27
IP(EA), eV:	-8.39(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,8-dimethoxy-3,4-dihydro-2H-naphthalen-1-one

Drug info:

PubChemData

Smile

COC1=C2CCCC(=O)C2=C(C=C1)OC

DOS

IR

Vibrations