Geometry & MOs

Info

ID:	126086
PubChem CID:	50950963
Reduced:	FON5C18H18 (1)
Stoich.:	ABC5D18E18 (1)
Weight, g/mol:	338.129824
ΔH_f, kcal/mol:	20.19
Dipole, Da:	1.63
IP(EA), eV:	-9.08(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-chloro-2-[(4-pyridin-4-ylpiperazin-1-yl)methyl]quinoline

Drug info:

PubChemData

Smile

CC1=NN(C(=N1)C2=C(N=CC=C2)N3CCOCC3)C4=CC=C(C=C4)F

DOS

IR

Vibrations