Geometry & MOs

Info

ID:	124530
PubChem CID:	50887147
Reduced:	SN4O4C12H16 (1)
Stoich.:	AB4C4D12E16 (1)
Weight, g/mol:	297.172879
ΔH_f, kcal/mol:	-22.19
Dipole, Da:	10.76
IP(EA), eV:	-8.88(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6E)-2-tert-butyl-6-[(2-hydroxy-4-methylanilino)methylidene]-4-methylcyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CCOC1=CC(=CC(=C1OCC)[N+](=O)[O-])C=NNC(=S)N

DOS

IR

Vibrations