Geometry & MOs

Info

ID:	52397
PubChem CID:	12015249
Reduced:	O2C5H5 (2)
Stoich.:	A2B5C5 (2)
Weight, g/mol:	478.235539
ΔH_f, kcal/mol:	-89.2
Dipole, Da:	4.39
IP(EA), eV:	-10.59(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-7,10,21,24-tetraoxatricyclo[23.2.2.23,6]hentriaconta-1(27),3(31),4,6(30),25,28-hexaen-15-yne-11,20-dione

Drug info:

PubChemData

Smile

C1COC(=O)/C=C\C(=O)OCCC#C1

DOS

IR

Vibrations