Geometry & MOs

Info

ID:	388479
PubChem CID:	134989270
Reduced:	ON4C9H14 (1)
Stoich.:	AB4C9D14 (1)
Weight, g/mol:	198.125594
ΔH_f, kcal/mol:	-1.28
Dipole, Da:	1.87
IP(EA), eV:	-9.26(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4aS,7aR)-6-methoxy-3,6-dimethyl-3,4,4a,5,7,7a-hexahydrocyclopenta[c]pyran-1-one

Drug info:

PubChemData

Smile

COC1=NC=NC(=N1)N2CCCCC2

DOS

IR

Vibrations