Geometry & MOs

Info

ID:	338592
PubChem CID:	127259603
Reduced:	OC12H19 (2)
Stoich.:	AB12C19 (2)
Weight, g/mol:	253.110279
ΔH_f, kcal/mol:	-106.77
Dipole, Da:	4.84
IP(EA), eV:	-9.17(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-3-methyl-5-[(2-methylanilino)methylidene]-6-oxocyclohexa-1,3-diene-1-carbaldehyde

Drug info:

PubChemData

Smile

CCCCCCC/C=C\CCCCCCC1=C(C(=CC=C1)OCC)C=O

DOS

IR

Vibrations