Geometry & MOs

Info

ID:	226612
PubChem CID:	87544408
Reduced:	BrClN4O5H10C15 (1)
Stoich.:	ABC4D5E10F15 (1)
Weight, g/mol:	362.041797
ΔH_f, kcal/mol:	-11.73
Dipole, Da:	11.8
IP(EA), eV:	-9.0(-2.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-4-[3-(2-chloro-4,6-dimethylpyridin-3-yl)-2H-1,2,4-oxadiazol-5-ylidene]-2-hydroxy-6-nitrocyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

CC1=C(C(=NC(=C1Cl)C)Br)C2=N/C(=C\3/C=C(C(=O)C(=C3)O)[N+](=O)[O-])/NO2

DOS

IR

Vibrations