Geometry & MOs

Info

ID:	127781
PubChem CID:	51014991
Reduced:	O4C25H32 (1)
Stoich.:	A4B25C32 (1)
Weight, g/mol:	218.13068
ΔH_f, kcal/mol:	-145.3
Dipole, Da:	2.97
IP(EA), eV:	-9.48(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,9S)-1,5,9-trimethyl-8,13-dioxatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene

Drug info:

PubChemData

Smile

C1C[C@H]([C@@H]2[C@H]1[C@H]3C[C@@H]2C=C3)OC(=O)CCCC(=O)O[C@H]4CC[C@H]5[C@@H]4[C@@H]6C[C@H]5C=C6

DOS

IR

Vibrations