Geometry & MOs

Info

ID:	226617
PubChem CID:	87544435
Reduced:	NO3C11H13 (1)
Stoich.:	AB3C11D13 (1)
Weight, g/mol:	391.97563
ΔH_f, kcal/mol:	-105.09
Dipole, Da:	3.55
IP(EA), eV:	-9.65(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-4-[5-(2-bromo-6-methylpyridin-3-yl)-3H-1,3,4-oxadiazol-2-ylidene]-2-hydroxy-6-nitrocyclohexa-2,5-dien-1-one

Drug info:

PubChemData

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C[C@@](CC1=CC=CC=C1)(C=O)NC(=O)O

DOS

IR

Vibrations