Geometry & MOs

Info

ID:	292656
PubChem CID:	117356486
Reduced:	ClNO2C12H16 (1)
Stoich.:	ABC2D12E16 (1)
Weight, g/mol:	241.086957
ΔH_f, kcal/mol:	-72.94
Dipole, Da:	3.17
IP(EA), eV:	-9.15(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-aminocyclohexyl)-6-chlorobenzene-1,2-diol

Drug info:

PubChemData

Smile

CCC1=C(C=C(C=C1OC)Cl)C(=O)CNC

DOS

IR

Vibrations