Geometry & MOs

Info

ID:	294125
PubChem CID:	117427363
Reduced:	ClNO3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	269.081871
ΔH_f, kcal/mol:	-140.73
Dipole, Da:	5.75
IP(EA), eV:	-9.01(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(1-aminocyclohexyl)-4-chloro-1,3-benzodioxol-5-ol

Drug info:

PubChemData

Smile

C1CCC2=C(C(=C(C=C2C1)C(CN)C(=O)O)O)Cl

DOS

IR

Vibrations