Geometry & MOs

Info

ID:	250439
PubChem CID:	103096602
Reduced:	BrN2O3H9C14 (1)
Stoich.:	AB2C3D9E14 (1)
Weight, g/mol:	255.064391
ΔH_f, kcal/mol:	10.67
Dipole, Da:	10.08
IP(EA), eV:	-8.96(-2.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-3-hydroxy-4-(3-pyridin-2-yl-2H-1,2,4-oxadiazol-5-ylidene)cyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations