Geometry & MOs

Info

ID:	165741
PubChem CID:	74590239
Reduced:	ON2C17H35 (1)
Stoich.:	AB2C17D35 (1)
Weight, g/mol:	399.276001
ΔH_f, kcal/mol:	-65.91
Dipole, Da:	3.37
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752396
Charge, e:	1

Chem-info

IUPAC name:

N-[2-[[4-(2,2-dimethylpropyl)-3-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]quinolin-5-yl]acetamide

Drug info:

PubChemData

Smile

CC(C)CN1CC[NH+](CC1CCO)CC2CCCCC2

DOS

IR

Vibrations