Geometry & MOs

Info

ID:	413354
PubChem CID:	135086302
Reduced:	N3O10C34H41 (1)
Stoich.:	A3B10C34D41 (1)
Weight, g/mol:	224.104859
ΔH_f, kcal/mol:	-284.13
Dipole, Da:	5.38
IP(EA), eV:	-9.48(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl (E)-dec-2-en-8-ynedioate

Drug info:

PubChemData

Smile

CO[C@@H]1C(C([C@@H](C(O1)CO[C@H]2C(C([C@@H](C(O2)CO)O)O)N=[N+]=[N-])OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5

DOS

IR

Vibrations