Geometry & MOs

Info

ID:	443272
PubChem CID:	135258342
Reduced:	NO2C20H23 (1)
Stoich.:	AB2C20D23 (1)
Weight, g/mol:	230.079038
ΔH_f, kcal/mol:	-52.3
Dipole, Da:	4.67
IP(EA), eV:	-8.92(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(5S,6S,6aR)-5-formyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] acetate

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2CCN(CC2)C(=O)CC3=CC=CC=C3

DOS

IR

Vibrations