Geometry & MOs

Info

ID:	37977
PubChem CID:	8026200
Reduced:	SO2N4H14C19 (1)
Stoich.:	AB2C4D14E19 (1)
Weight, g/mol:	368.140389
ΔH_f, kcal/mol:	26.27
Dipole, Da:	5.21
IP(EA), eV:	-9.53(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-7-methoxy-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinoline

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC2=NN=C(S2)NC(=O)C3=CC(=O)NC4=CC=CC=C43

DOS

IR

Vibrations