Geometry & MOs

Info

ID:	399697
PubChem CID:	135041851
Reduced:	O2C17H18 (1)
Stoich.:	A2B17C18 (1)
Weight, g/mol:	264.136159
ΔH_f, kcal/mol:	-34.9
Dipole, Da:	0.3
IP(EA), eV:	-8.9(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1S,6S,8R,10S)-6-methyl-5,12-dioxotricyclo[6.2.2.01,6]dodecane-10-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(/C=C/C2=CC(=CC=C2)OC)O

DOS

IR

Vibrations