Geometry & MOs

Info

ID:	390106
PubChem CID:	134997104
Reduced:	O2C11H12 (1)
Stoich.:	A2B11C12 (1)
Weight, g/mol:	277.131408
ΔH_f, kcal/mol:	-51.18
Dipole, Da:	0.85
IP(EA), eV:	-9.02(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,4R,6aR)-2,2-dimethyl-5-oxido-4-(phenylmethoxymethyl)-4,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-5-ium

Drug info:

PubChemData

Smile

C=C[C@@H]1COC2=CC=CC=C2[C@H]1O

DOS

IR

Vibrations