Geometry & MOs

Info

ID:	173595
PubChem CID:	75659355
Reduced:	N2O2C20H31 (1)
Stoich.:	A2B2C20D31 (1)
Weight, g/mol:	345.254203
ΔH_f, kcal/mol:	-71.89
Dipole, Da:	3.42
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.766177
Charge, e:	1

Chem-info

IUPAC name:

1-[6-(1-hydroxy-2-piperidin-1-ium-1-ylethyl)-3,4-dihydro-2H-quinolin-1-yl]-2,2-dimethylpropan-1-one

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)N1CCCC2=C1C=CC(=C2)C(C[NH+]3CCCC3)O

DOS

IR

Vibrations