Geometry & MOs

Info

ID:	248424
PubChem CID:	103081526
Reduced:	ClF2N3O3C11H16 (1)
Stoich.:	AB2C3D3E11F16 (1)
Weight, g/mol:	257.09827
ΔH_f, kcal/mol:	-198.3
Dipole, Da:	6.37
IP(EA), eV:	-9.03(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-chloro-5-fluorophenyl)methyl]-3-methoxycyclopentan-1-amine

Drug info:

PubChemData

Smile

COCCN1C(=O)C(=C(C=N1)NCCOCC(F)F)Cl

DOS

IR

Vibrations