Geometry & MOs

Info

ID:	279764
PubChem CID:	103845082
Reduced:	ON3C13H23 (1)
Stoich.:	AB3C13D23 (1)
Weight, g/mol:	277.070341
ΔH_f, kcal/mol:	-30.83
Dipole, Da:	3.43
IP(EA), eV:	-9.12(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C(=CC=N1)CNC2CCCCC2CO

DOS

IR

Vibrations