Geometry & MOs

Info

ID:	127935
PubChem CID:	51024067
Reduced:	OSC23H36 (1)
Stoich.:	ABC23D36 (1)
Weight, g/mol:	1414.3202
ΔH_f, kcal/mol:	-14.9
Dipole, Da:	2.21
IP(EA), eV:	-8.46(0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1Z,11Z)-3,10-dioxo-1,12-diphenyldodeca-1,11-diene-1,12-diolate;(11Z)-3,10-dioxo-1,12-diphenyldodeca-1,11-diene-1,12-diolate;neodymium(3+)

Drug info:

PubChemData

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CC1([C@H]2CC[C@@]1([C@@H](C2)OC#CCC(C)(C)CC3=CCCC3)CSC)C

DOS

IR

Vibrations