Geometry & MOs

Info

ID:	355439
PubChem CID:	127288502
Reduced:	ON4C17H20 (1)
Stoich.:	AB4C17D20 (1)
Weight, g/mol:	337.153875
ΔH_f, kcal/mol:	17.54
Dipole, Da:	6.67
IP(EA), eV:	-9.5(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-oxo-2-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]ethyl]quinolin-4-one

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2=CC=CC3=C2CCC3)N4C=NC=N4

DOS

IR

Vibrations