Geometry & MOs

Info

ID:	361583
PubChem CID:	127303849
Reduced:	ON4C20H24 (1)
Stoich.:	AB4C20D24 (1)
Weight, g/mol:	377.185175
ΔH_f, kcal/mol:	29.1
Dipole, Da:	6.06
IP(EA), eV:	-9.48(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]quinolin-4-one

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2=CC=CC3=C2CCC3)C4=NN=CN4C5CC5

DOS

IR

Vibrations