Geometry & MOs

Info

ID:	288460
PubChem CID:	104316916
Reduced:	ClNO3C14H22 (1)
Stoich.:	ABC3D14E22 (1)
Weight, g/mol:	227.132157
ΔH_f, kcal/mol:	-129.99
Dipole, Da:	3.9
IP(EA), eV:	-8.71(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[(1S)-1-aminoethyl]-2-fluorophenoxy]butan-2-ol

Drug info:

PubChemData

Smile

CC(CCOC1=C(C(=CC=C1)Cl)CNCCOC)O

DOS

IR

Vibrations