Geometry & MOs

Info

ID:	393244
PubChem CID:	135019855
Reduced:	O5C26H40 (1)
Stoich.:	A5B26C40 (1)
Weight, g/mol:	269.162708
ΔH_f, kcal/mol:	-232.7
Dipole, Da:	4.42
IP(EA), eV:	-9.16(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,4S,6R,6aR)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-6-ethenyl-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrole

Drug info:

PubChemData

Smile

CC(=CCC[C@]1(C[C@@H](C2CO[C@H](C2[C@@H]1/C=C/OC(=O)C=C(C)C)CC(=O)C)OC)C)C

DOS

IR

Vibrations