Geometry & MOs

Info

ID:	200952
PubChem CID:	79466148
Reduced:	OSN3C12H15 (1)
Stoich.:	ABC3D12E15 (1)
Weight, g/mol:	270.07712
ΔH_f, kcal/mol:	0.51
Dipole, Da:	2.2
IP(EA), eV:	-8.88(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chloro-2-nitrophenoxy)cyclohexan-1-amine

Drug info:

PubChemData

Smile

C1CC(CC(C1)OC2=NC=NC3=C2SC=C3)N

DOS

IR

Vibrations