Geometry & MOs

Info

ID:	32078
PubChem CID:	4265963
Reduced:	N3O14H53C55 (1)
Stoich.:	A3B14C53D55 (1)
Weight, g/mol:	212.131349
ΔH_f, kcal/mol:	-396.93
Dipole, Da:	4.01
IP(EA), eV:	-8.98(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-piperidin-2-ylquinoline

Drug info:

PubChemData

Smile

COCCOC(=O)N1C2=C(C=C(C=C2)C#CCC(C(=O)OC)C(=O)OC)C3(C1=O)C(C4C(=O)OC(C(N4C3C5=CC=CC=C5OCCO)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)NCC(C8=CC=CC=C8)O

DOS

IR

Vibrations