Geometry & MOs

Info

ID:	352764
PubChem CID:	127283853
Reduced:	ON6C17H20 (1)
Stoich.:	AB6C17D20 (1)
Weight, g/mol:	355.200825
ΔH_f, kcal/mol:	74.15
Dipole, Da:	4.62
IP(EA), eV:	-9.41(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NN=C(O2)CN3CCCC(C3)N4C=NC=N4

DOS

IR

Vibrations