Geometry & MOs

Info

ID:	335872
PubChem CID:	127254734
Reduced:	ClNO2C20H23 (2)
Stoich.:	ABC2D20E23 (2)
Weight, g/mol:	365.221561
ΔH_f, kcal/mol:	-122.27
Dipole, Da:	7.29
IP(EA), eV:	-8.58(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-pyrrol-1-yl-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]hexan-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)CC(COC3=CC=C(C=C3)OCC(CN(CC4=CC=CC=C4)CC5=CC=CC=C5)O)O.Cl.Cl

DOS

IR

Vibrations