Geometry & MOs

Info

ID:	220453
PubChem CID:	85195417
Reduced:	O4C11H22 (1)
Stoich.:	A4B11C22 (1)
Weight, g/mol:	218.13068
ΔH_f, kcal/mol:	-201.63
Dipole, Da:	2.69
IP(EA), eV:	-9.82(1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyltricyclo[5.2.1.02,6]dec-4-ene-3,8-dione

Drug info:

PubChemData

Smile

CC1CC(CC(O1)CC(OC)OC)OC

DOS

IR

Vibrations