Geometry & MOs

Info

ID:	217075
PubChem CID:	85087207
Reduced:	FeO2C18H26 (1)
Stoich.:	AB2C18D26 (1)
Weight, g/mol:	330.106316
ΔH_f, kcal/mol:	-29.08
Dipole, Da:	11.48
IP(EA), eV:	-6.71(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-butoxy-6-oxido-4-oxo-2,3-dihydropyrazolo[1,5-b][1,2]oxazol-6-ium-3a,5-dicarboxylate

Drug info:

PubChemData

Smile

CC(C)C([C]1[CH][CH][CH][CH]1)O.CC(C)C([C]1[CH][CH][CH][CH]1)O.[Fe+2]

DOS

IR

Vibrations