Geometry & MOs

Info

ID:	19891
PubChem CID:	574681
Reduced:	NO7C20H23 (1)
Stoich.:	AB7C20D23 (1)
Weight, g/mol:	389.147452
ΔH_f, kcal/mol:	-271.05
Dipole, Da:	2.77
IP(EA), eV:	-10.04(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(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

CC1(OC(C2C(O1)C3C(O2)OC(O3)(C)C)CN4C(=O)C5=CC=CC=C5C4=O)C

DOS

IR

Vibrations