Geometry & MOs

Info

ID:	28246
PubChem CID:	826525
Reduced:	O2N4C11H16 (1)
Stoich.:	A2B4C11D16 (1)
Weight, g/mol:	330.206919
ΔH_f, kcal/mol:	-50.1
Dipole, Da:	2.23
IP(EA), eV:	-8.98(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2S)-1-naphthalen-1-yloxy-3-(4-propan-2-ylmorpholin-4-ium-4-yl)propan-2-ol

Drug info:

PubChemData

Smile

CCOC(=O)N1CCN(CC1)C2=NC=CC=N2

DOS

IR

Vibrations