Geometry & MOs

Info

ID:	293543
PubChem CID:	117392710
Reduced:	ClNO2C13H18 (1)
Stoich.:	ABC2D13E18 (1)
Weight, g/mol:	255.102607
ΔH_f, kcal/mol:	-78.95
Dipole, Da:	3.37
IP(EA), eV:	-8.83(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(7-chloro-6-ethyl-1,3-benzodioxol-5-yl)-2-methylpropan-2-amine

Drug info:

PubChemData

Smile

CCC1=C2C(=C(C=C1CCN)Cl)OCCCO2

DOS

IR

Vibrations