Geometry & MOs

Info

ID:	402389
PubChem CID:	135055794
Reduced:	O3C22H26 (1)
Stoich.:	A3B22C26 (1)
Weight, g/mol:	308.162374
ΔH_f, kcal/mol:	-77.49
Dipole, Da:	4.79
IP(EA), eV:	-10.01(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl (3R,7aR)-3-cyclopropyl-1,1-dimethyl-3,5,7,7a-tetrahydrocyclopenta[c]pyran-6,6-dicarboxylate

Drug info:

PubChemData

Smile

CCCCCC#CC1C(CC=C1C(=O)OCC)C(=O)C2=CC=CC=C2

DOS

IR

Vibrations