Geometry & MOs

Info

ID:	171436
PubChem CID:	75377009
Reduced:	ClON6H13C15 (1)
Stoich.:	ABC6D13E15 (1)
Weight, g/mol:	402.12811
ΔH_f, kcal/mol:	65.21
Dipole, Da:	8.36
IP(EA), eV:	-9.18(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[4-[2-(7-chloroquinolin-4-yl)sulfanylethyl]piperazin-1-yl]methyl]-3-methyl-1,2-oxazole

Drug info:

PubChemData

Smile

C1CN(C(=O)C1NC2=NC=CN3C2=NN=C3)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations