Geometry & MOs

Info

ID:	122221
PubChem CID:	50798190
Reduced:	ClON5C28H28 (1)
Stoich.:	ABC5D28E28 (1)
Weight, g/mol:	450.241962
ΔH_f, kcal/mol:	58.3
Dipole, Da:	6.13
IP(EA), eV:	-8.29(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-benzylpiperidin-1-yl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN1CCCNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=N4)C5=CC(=CC=C5)Cl

DOS

IR

Vibrations