Geometry & MOs

Info

ID:	200943
PubChem CID:	79465506
Reduced:	FN2O3C13H17 (1)
Stoich.:	AB2C3D13E17 (1)
Weight, g/mol:	245.064113
ΔH_f, kcal/mol:	-91.82
Dipole, Da:	2.46
IP(EA), eV:	-9.62(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-chlorothiophen-2-yl)methoxy]cyclohexan-1-amine

Drug info:

PubChemData

Smile

C1CC(CC(C1)OCC2=C(C=CC(=C2)F)[N+](=O)[O-])N

DOS

IR

Vibrations