Geometry & MOs

Info

ID:	394958
PubChem CID:	135024277
Reduced:	O7C15H16 (1)
Stoich.:	A7B15C16 (1)
Weight, g/mol:	282.125594
ΔH_f, kcal/mol:	-272.73
Dipole, Da:	5.2
IP(EA), eV:	-10.48(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(10S)-1-methyl-10-(4-methylphenyl)-8-oxatricyclo[5.2.2.02,6]undec-2(6)-ene-5,9-dione

Drug info:

PubChemData

Smile

CC12C(C(C(C3=C1CCC3=O)OC2=O)C(=O)OC)C(=O)OC

DOS

IR

Vibrations