Geometry & MOs

Info

ID:	294035
PubChem CID:	117423210
Reduced:	ClNO2C14H18 (1)
Stoich.:	ABC2D14E18 (1)
Weight, g/mol:	267.102606
ΔH_f, kcal/mol:	-31.79
Dipole, Da:	6.04
IP(EA), eV:	-8.48(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(5-chloro-1,3-benzodioxol-4-yl)cyclohexyl]methanamine

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1Cl)/C=C/CN)OCC2CC2

DOS

IR

Vibrations