Geometry & MOs

Info

ID:	221581
PubChem CID:	85280550
Reduced:	FON4H11C12 (1)
Stoich.:	ABC4D11E12 (1)
Weight, g/mol:	248.104859
ΔH_f, kcal/mol:	79.24
Dipole, Da:	8.6
IP(EA), eV:	-10.17(-2.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-oxabicyclo[4.1.0]heptan-1-yl 4-methoxybenzoate

Drug info:

PubChemData

Smile

CCCC1=NN=C2N1C3C=CC(=CC3=NC2=O)F

DOS

IR

Vibrations