Geometry & MOs

Info

ID:	435893
PubChem CID:	135192696
Reduced:	O4C19H26 (1)
Stoich.:	A4B19C26 (1)
Weight, g/mol:	389.147452
ΔH_f, kcal/mol:	-178.24
Dipole, Da:	2.84
IP(EA), eV:	-9.82(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(2S,6R,8R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecan-9-yl]methyl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

CCCCCCC1=CC=C(C=C1)C(=O)OC2COC3C2OCC3

DOS

IR

Vibrations