Geometry & MOs

Info

ID:	183547
PubChem CID:	77037468
Reduced:	N4O5H9C12 (1)
Stoich.:	A4B5C9D12 (1)
Weight, g/mol:	284.09094
ΔH_f, kcal/mol:	-96.99
Dipole, Da:	3.42
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.773910
Charge, e:	0

Chem-info

IUPAC name:

4-[5-(3-aminopyridin-4-yl)-1,2,4-oxadiazol-3-ylidene]-2-methoxycyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

C1=CC(=O)[N+](=NC1=O)CC(=O)NC2=C(C=CN=C2)C(=O)O

DOS

IR

Vibrations