Geometry & MOs

Info

ID:	37710
PubChem CID:	8023484
Reduced:	O2N3C24H28 (1)
Stoich.:	A2B3C24D28 (1)
Weight, g/mol:	390.218152
ΔH_f, kcal/mol:	-8.54
Dipole, Da:	5.9
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.272653
Charge, e:	1

Chem-info

IUPAC name:

N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]quinoline-8-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@@H](CNC(=O)C2=CC=CC3=C2N=CC=C3)[NH+]4CCCCC4

DOS

IR

Vibrations