Geometry & MOs

Info

ID:	122216
PubChem CID:	50798143
Reduced:	O2N3H19C28 (1)
Stoich.:	A2B3C19D28 (1)
Weight, g/mol:	469.227789
ΔH_f, kcal/mol:	63.7
Dipole, Da:	3.03
IP(EA), eV:	-9.17(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-pyridin-2-ylquinoline-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)C2=CC=CC=C2NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=N5

DOS

IR

Vibrations