Geometry & MOs

Info

ID:	391466
PubChem CID:	135005518
Reduced:	OLi2H10C12 (1)
Stoich.:	AB2C10D12 (1)
Weight, g/mol:	255.110673
ΔH_f, kcal/mol:	-37.96
Dipole, Da:	7.71
IP(EA), eV:	-6.8(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(3aS,4S,6S,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-hydroxymethyl]prop-2-enenitrile

Drug info:

PubChemData

Smile

[Li+].[Li+].[CH2-]C1=CC2=CC=CC=C2C=C1C[O-]

DOS

IR

Vibrations