Geometry & MOs

Info

ID:	393975
PubChem CID:	135022078
Reduced:	O3C10H16 (1)
Stoich.:	A3B10C16 (1)
Weight, g/mol:	494.220557
ΔH_f, kcal/mol:	-141.43
Dipole, Da:	5.04
IP(EA), eV:	-10.33(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,11,18,23-tetraoxa-1,28-diazatetracyclo[26.3.2.27,10.219,22]heptatriaconta-7,9,19(35),20,22(34),36-hexaen-3,13,15,25-tetrayne

Drug info:

PubChemData

Smile

CC(C)(C/C=C\1/CCOC1=O)CO

DOS

IR

Vibrations