Geometry & MOs

Info

ID:	212816
PubChem CID:	81061891
Reduced:	NSO4C13H21 (1)
Stoich.:	ABC4D13E21 (1)
Weight, g/mol:	279.163457
ΔH_f, kcal/mol:	-160.73
Dipole, Da:	3.13
IP(EA), eV:	-9.54(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-fluoro-4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]phenyl]prop-2-yn-1-ol

Drug info:

PubChemData

Smile

CCOCCN(C)S(=O)(=O)C1=CC=CC(=C1)C(C)O

DOS

IR

Vibrations