Geometry & MOs

Info

ID:	409736
PubChem CID:	135082521
Reduced:	TiN2O2C12H28 (1)
Stoich.:	AB2C2D12E28 (1)
Weight, g/mol:	635.9815
ΔH_f, kcal/mol:	-115.39
Dipole, Da:	10.32
IP(EA), eV:	-7.7(-2.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]propanedinitrile;2,3,7,8-tetramethoxyselenanthrene

Drug info:

PubChemData

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CC(C)O.CC(C)O.C1CC[C@H]([C@@H](C1)[NH-])[NH-].[Ti+2]

DOS

IR

Vibrations