Geometry & MOs

Info

ID:	292657
PubChem CID:	117356488
Reduced:	ClNO2C12H16 (1)
Stoich.:	ABC2D12E16 (1)
Weight, g/mol:	241.086957
ΔH_f, kcal/mol:	-95.13
Dipole, Da:	6.43
IP(EA), eV:	-8.63(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-aminocyclohexyl)-4-chlorobenzene-1,2-diol

Drug info:

PubChemData

Smile

C1CCC(CC1)(C2=C(C(=C(C=C2)Cl)O)O)N

DOS

IR

Vibrations