Geometry & MOs

Info

ID:	380913
PubChem CID:	134971512
Reduced:	O2C15H20 (1)
Stoich.:	A2B15C20 (1)
Weight, g/mol:	312.136159
ΔH_f, kcal/mol:	-81.25
Dipole, Da:	1.52
IP(EA), eV:	-9.22(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5S,9S,13S)-1,4,4-trimethyl-17,18-dioxapentacyclo[11.3.1.15,9.02,12.03,10]octadeca-3(10),6,14-triene-8,16-dione

Drug info:

PubChemData

Smile

C[C@H]1[C@H](OC(O1)(C)C)/C(=C/C2=CC=CC=C2)/C

DOS

IR

Vibrations