Geometry & MOs

Info

ID:	132990
PubChem CID:	51458913
Reduced:	BrON4H19C24 (1)
Stoich.:	ABC4D19E24 (1)
Weight, g/mol:	286.065023
ΔH_f, kcal/mol:	119.62
Dipole, Da:	5.81
IP(EA), eV:	-9.19(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(6E)-2-methyl-6-[4-(2-methyl-1,3-thiazol-4-yl)-1,2-dihydropyrazol-3-ylidene]-3-oxocyclohexa-1,4-dien-1-olate

Drug info:

PubChemData

Smile

C1[C@H](N2C(=NC=N2)N=C1C3=CC=C(C=C3)Br)C4=CC=C(C=C4)OCC5=CC=CC=C5

DOS

IR

Vibrations