Geometry & MOs

Info

ID:	166835
PubChem CID:	74740864
Reduced:	ON3C26H36 (1)
Stoich.:	AB3C26D36 (1)
Weight, g/mol:	406.285838
ΔH_f, kcal/mol:	-14.49
Dipole, Da:	3.31
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.229862
Charge, e:	1

Chem-info

IUPAC name:

N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-piperidin-1-ium-1-ylethyl]-3-phenylpropanamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)C(=O)NCC(C2=CC3=C(C=C2)N(CCC3)C)[NH+]4CCCCC4)C

DOS

IR

Vibrations