Geometry & MOs

Info

ID:	224638
PubChem CID:	85345508
Reduced:	NO2C8H8 (2)
Stoich.:	AB2C8D8 (2)
Weight, g/mol:	300.175686
ΔH_f, kcal/mol:	-74.89
Dipole, Da:	3.78
IP(EA), eV:	-8.5(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C=NNC(=O)C2=CC(=C(C=C2)O)OC

DOS

IR

Vibrations