Geometry & MOs

Info

ID:	292702
PubChem CID:	117357249
Reduced:	ON2H5C6 (2)
Stoich.:	AB2C5D6 (2)
Weight, g/mol:	242.080376
ΔH_f, kcal/mol:	28.57
Dipole, Da:	5.49
IP(EA), eV:	-8.88(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-5-[5-(aminomethyl)-1,2,4-oxadiazol-3-ylidene]quinolin-8-one

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)N2C=CNC2=O)C3=CC(=NO3)N

DOS

IR

Vibrations