Geometry & MOs

Info

ID:	27430
PubChem CID:	821311
Reduced:	N2O2C17H18 (1)
Stoich.:	A2B2C17D18 (1)
Weight, g/mol:	236.17763
ΔH_f, kcal/mol:	-54.7
Dipole, Da:	0.82
IP(EA), eV:	-8.25(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,6S)-2,6,10,10-tetramethylcycloundec-8-ene-1,5-dione

Drug info:

PubChemData

Smile

CCC(=O)NC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2)C

DOS

IR

Vibrations