Geometry & MOs

Info

ID:	136143
PubChem CID:	51986985
Reduced:	ClFN2O2C19H26 (1)
Stoich.:	ABC2D2E19F26 (1)
Weight, g/mol:	340.171282
ΔH_f, kcal/mol:	-88.04
Dipole, Da:	3.61
IP(EA), eV:	-8.8(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl-(3-hydroxypropyl)azanium

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C[NH2+]CCC[NH2+]CCO)OCC2=C(C=C(C=C2)F)Cl

DOS

IR

Vibrations