Geometry & MOs

Info

ID:	292651
PubChem CID:	117356384
Reduced:	ClNO2C12H16 (1)
Stoich.:	ABC2D12E16 (1)
Weight, g/mol:	241.086957
ΔH_f, kcal/mol:	-73.27
Dipole, Da:	4.65
IP(EA), eV:	-8.79(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-chloro-4-methyl-1,3-benzodioxol-5-yl)-2-methylpropan-2-amine

Drug info:

PubChemData

Smile

CC(CCN)C1=C(C=CC2=C1OCCO2)Cl

DOS

IR

Vibrations