Geometry & MOs

Info

ID:	217480
PubChem CID:	85087884
Reduced:	F2N2O5C17H18 (1)
Stoich.:	A2B2C5D17E18 (1)
Weight, g/mol:	368.089603
ΔH_f, kcal/mol:	-276.0
Dipole, Da:	1.8
IP(EA), eV:	-9.43(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-benzodioxol-5-ylmethylidene)-5-hydroxyoxolan-2-one

Drug info:

PubChemData

Smile

C1CC1COC2=C(C=CC(=C2)C(=O)NC3CCC(=O)NC3=O)OC(F)F

DOS

IR

Vibrations