Geometry & MOs

Info

ID:	88617
PubChem CID:	49955746
Reduced:	ClNSO3C15H19 (1)
Stoich.:	ABCD3E15F19 (1)
Weight, g/mol:	340.111574
ΔH_f, kcal/mol:	-39.97
Dipole, Da:	1.34
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.811495
Charge, e:	-1

Chem-info

IUPAC name:

2-[4-[[(4-fluorophenyl)methylamino]methyl]-2-methoxyphenoxy]ethanol;chloride

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CNCC2=CC=CS2)OCCO.[Cl-]

DOS

IR

Vibrations