Geometry & MOs

Info

ID:	224829
PubChem CID:	85427132
Reduced:	O11C54H58 (1)
Stoich.:	A11B54C58 (1)
Weight, g/mol:	239.139567
ΔH_f, kcal/mol:	-317.54
Dipole, Da:	3.73
IP(EA), eV:	-9.46(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-ethoxy-1,3-dihydroxydec-1-en-4-yne-2-diazonium

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COCC2(C(C(C(O2)CO)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OC5C(C(C(C(O5)CO)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8

DOS

IR

Vibrations