Geometry & MOs

Info

ID:	355426
PubChem CID:	127288489
Reduced:	ON4C20H20 (1)
Stoich.:	AB4C20D20 (1)
Weight, g/mol:	337.153875
ΔH_f, kcal/mol:	42.63
Dipole, Da:	8.01
IP(EA), eV:	-9.0(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-methoxyquinolin-2-yl)-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2=CC=C3CCC4=C3C2=CC=C4)N5C=NC=N5

DOS

IR

Vibrations