Geometry & MOs

Info

ID:	294719
PubChem CID:	117485536
Reduced:	N3O3C16H19 (1)
Stoich.:	A3B3C16D19 (1)
Weight, g/mol:	301.114793
ΔH_f, kcal/mol:	-61.12
Dipole, Da:	7.28
IP(EA), eV:	-9.07(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(3-fluoro-5-methoxy-4-methylsulfonylphenyl)cyclopentyl]methanamine

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C(=O)O)C2=CC=CC(=C2)CN3CCOCC3

DOS

IR

Vibrations