Geometry & MOs

Info

ID:	355428
PubChem CID:	127288491
Reduced:	O2N6C17H20 (1)
Stoich.:	A2B6C17D20 (1)
Weight, g/mol:	321.15896
ΔH_f, kcal/mol:	42.27
Dipole, Da:	4.02
IP(EA), eV:	-9.99(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-quinolin-8-yl-1-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(C)C1=NOC2=C1C=C(C=N2)C(=O)N3CCCC(C3)N4C=NC=N4

DOS

IR

Vibrations