Geometry & MOs

Info

ID:	394032
PubChem CID:	135022197
Reduced:	OH8C10 (2)
Stoich.:	AB8C10 (2)
Weight, g/mol:	268.167459
ΔH_f, kcal/mol:	33.1
Dipole, Da:	4.11
IP(EA), eV:	-9.36(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2Z,6S,12S)-6,14,14-trimethyl-5,13,15-trioxabicyclo[10.3.0]pentadec-2-en-4-one

Drug info:

PubChemData

Smile

CC/C(=C\C1=CC=CC=C1)/C2=C(C(=O)C2=O)C3=CC=CC=C3

DOS

IR

Vibrations