Geometry & MOs

Info

ID:	279773
PubChem CID:	103845127
Reduced:	SN3C13H25 (1)
Stoich.:	AB3C13D25 (1)
Weight, g/mol:	273.12957
ΔH_f, kcal/mol:	9.97
Dipole, Da:	4.98
IP(EA), eV:	-8.57(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(5-chloro-2-fluorophenyl)methylamino]methyl]hexan-1-ol

Drug info:

PubChemData

Smile

CCC(CC)(CNCC1=CC=NN1CC)SC

DOS

IR

Vibrations