Geometry & MOs

Info

ID:	393795
PubChem CID:	135021707
Reduced:	O3C16H28 (1)
Stoich.:	A3B16C28 (1)
Weight, g/mol:	270.073953
ΔH_f, kcal/mol:	-185.64
Dipole, Da:	2.87
IP(EA), eV:	-9.56(1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,6R,8R,11S)-4,4-dimethyl-13-oxo-3,5,7,10,14-pentaoxatetracyclo[6.6.0.01,11.02,6]tetradecane-9-carbaldehyde

Drug info:

PubChemData

Smile

C[C@H]1[C@H]2[C@@](CC[C@@]1(C)O)(CC3(C2(C)C)OCCO3)C

DOS

IR

Vibrations