Geometry & MOs

Info

ID:	48094
PubChem CID:	10537121
Reduced:	O3C13H20 (1)
Stoich.:	A3B13C20 (1)
Weight, g/mol:	224.141244
ΔH_f, kcal/mol:	-150.95
Dipole, Da:	4.38
IP(EA), eV:	-9.71(1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,4aR,9aS)-7,7-dimethyl-2-prop-2-enyl-4a,5,9,9a-tetrahydro-2H-pyrano[2,3-e][1,3]dioxepine

Drug info:

PubChemData

Smile

C1CCC2([C@H]3CCC(=O)C[C@@H]3C1)OCCO2

DOS

IR

Vibrations