Geometry & MOs

Info

ID:	250440
PubChem CID:	103096607
Reduced:	N3O3H9C13 (1)
Stoich.:	A3B3C9D13 (1)
Weight, g/mol:	258.07529
ΔH_f, kcal/mol:	18.61
Dipole, Da:	11.96
IP(EA), eV:	-8.83(-2.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-3-hydroxy-4-[3-(1-methylpyrazol-4-yl)-2H-1,2,4-oxadiazol-5-ylidene]cyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)C2=N/C(=C/3\C=CC(=O)C=C3O)/ON2

DOS

IR

Vibrations