Geometry & MOs

Info

ID:	309507
PubChem CID:	126546727
Reduced:	O2C11H12 (2)
Stoich.:	A2B11C12 (2)
Weight, g/mol:	388.152203
ΔH_f, kcal/mol:	-119.1
Dipole, Da:	2.96
IP(EA), eV:	-8.76(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl (3aS,5R)-3a-[2-(3,4-dimethoxyphenyl)ethyl]-6-oxo-4,5-dihydro-1,3-benzodioxole-5-carboxylate

Drug info:

PubChemData

Smile

C1C[C@]2(C(CC1=O)OCO2)CCC3=CC=C(C=C3)OCC4=CC=CC=C4

DOS

IR

Vibrations