Geometry & MOs

Info

ID:	231811
PubChem CID:	87574705
Reduced:	NO3F6H7C11 (1)
Stoich.:	AB3C6D7E11 (1)
Weight, g/mol:	196.109944
ΔH_f, kcal/mol:	-389.1
Dipole, Da:	5.29
IP(EA), eV:	-10.67(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl 1,5-dimethyl-6-oxabicyclo[3.1.0]hexane-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=NC=C1/C=C(\C(=O)O)/OCC(F)(F)F)C(F)(F)F

DOS

IR

Vibrations