Geometry & MOs

Info

ID:	125718
PubChem CID:	50935426
Reduced:	N2O3C15H24 (1)
Stoich.:	A2B3C15D24 (1)
Weight, g/mol:	410.048108
ΔH_f, kcal/mol:	-106.93
Dipole, Da:	2.54
IP(EA), eV:	-9.2(0.18)
Spin(S_z, S²):	None, None
Charge, e:	-2

Chem-info

IUPAC name:

(E)-but-2-enedioic acid;cyclopenta-1,3-diene;titanium

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1[C@H]2CCC=C([C@H]1CC2)/C=N/OC

DOS

IR

Vibrations