Geometry & MOs

Info

ID:	205065
PubChem CID:	80050394
Reduced:	FNO3C13H18 (1)
Stoich.:	ABC3D13E18 (1)
Weight, g/mol:	253.147807
ΔH_f, kcal/mol:	-167.59
Dipole, Da:	0.96
IP(EA), eV:	-9.04(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C(C)OC1=C(C=C(C=C1)F)C(C)N

DOS

IR

Vibrations