Geometry & MOs

Info

ID:	79893
PubChem CID:	49831082
Reduced:	O2C5H7 (2)
Stoich.:	A2B5C7 (2)
Weight, g/mol:	170.094294
ΔH_f, kcal/mol:	-186.82
Dipole, Da:	4.65
IP(EA), eV:	-10.38(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,6aS)-3-(hydroxymethyl)-3-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1-one

Drug info:

PubChemData

Smile

CC1([C@@H]2CCC(=O)C[C@H]2C(=O)O1)CO

DOS

IR

Vibrations