Geometry & MOs

Info

ID:	255594
PubChem CID:	103133256
Reduced:	ClON3H10C11 (1)
Stoich.:	ABC3D10E11 (1)
Weight, g/mol:	253.147807
ΔH_f, kcal/mol:	24.61
Dipole, Da:	6.49
IP(EA), eV:	-8.68(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[4-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)C2=CC(=C(C=C2)N)Cl

DOS

IR

Vibrations