Geometry & MOs

Info

ID:	292880
PubChem CID:	117362324
Reduced:	ON2C6H6 (2)
Stoich.:	AB2C6D6 (2)
Weight, g/mol:	244.096026
ΔH_f, kcal/mol:	23.74
Dipole, Da:	13.1
IP(EA), eV:	-8.04(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-3,4-dihydro-1H-quinolin-2-one

Drug info:

PubChemData

Smile

CN1C(=C/C(=C/2\C=C(C=C(C2=O)OC)C#N)/N1)N

DOS

IR

Vibrations