Geometry & MOs

Info

ID:	269217
PubChem CID:	103616396
Reduced:	FON2C16H19 (1)
Stoich.:	ABC2D16E19 (1)
Weight, g/mol:	241.147807
ΔH_f, kcal/mol:	-40.38
Dipole, Da:	3.8
IP(EA), eV:	-8.65(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-fluoro-2-[(propan-2-ylamino)methyl]phenoxy]propan-1-ol

Drug info:

PubChemData

Smile

CCNCC1=C(C=CC(=C1)F)OCCC2=CC=CC=N2

DOS

IR

Vibrations