Geometry & MOs

Info

ID:	224732
PubChem CID:	85349078
Reduced:	FN2O5C8H11 (1)
Stoich.:	AB2C5D8E11 (1)
Weight, g/mol:	234.089209
ΔH_f, kcal/mol:	-90.14
Dipole, Da:	4.97
IP(EA), eV:	-10.95(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2,2-dimethyl-5-(4-oxobut-2-ynyl)-1,3-dioxolan-4-yl]but-2-ynal

Drug info:

PubChemData

Smile

C1CC2CC1CC2OC([N+](=O)[O-])([N+](=O)[O-])F

DOS

IR

Vibrations