Geometry & MOs

Info

ID:	396391
PubChem CID:	135028247
Reduced:	OC20H20 (1)
Stoich.:	AB20C20 (1)
Weight, g/mol:	280.131074
ΔH_f, kcal/mol:	14.81
Dipole, Da:	1.1
IP(EA), eV:	-8.36(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl (1S,2S,7R,9R)-12-oxatricyclo[7.2.1.02,7]dodec-5-ene-11,11-dicarboxylate

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C2=CC=C(O2)C3=CC=CC=C3

DOS

IR

Vibrations