Geometry & MOs

Info

ID:	385831
PubChem CID:	134980103
Reduced:	OC6H9 (2)
Stoich.:	AB6C9 (2)
Weight, g/mol:	256.167459
ΔH_f, kcal/mol:	-94.46
Dipole, Da:	2.46
IP(EA), eV:	-9.73(0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1S,3R)-3-(5,5-dimethyl-1,3-dioxan-2-yl)-1-methylcyclopentane-1-carboxylate

Drug info:

PubChemData

Smile

CC(=O)O[C@H]1C[C@H]2[C@@]1(C=CC2(C)C)C

DOS

IR

Vibrations