Geometry & MOs

Info

ID:	342207
PubChem CID:	127264984
Reduced:	NOC9H10 (2)
Stoich.:	ABC9D10 (2)
Weight, g/mol:	530.145746
ΔH_f, kcal/mol:	-17.61
Dipole, Da:	3.23
IP(EA), eV:	-8.43(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-5-[[2-[amino(methylsulfanyl)methylidene]hydrazinyl]methylidene]-6-oxocyclohexa-1,3-diene-1-carboxylic acid;N,N-dimethylformamide;nickel

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)/C(=C\C2CCC=CC2)/C#N

DOS

IR

Vibrations