Geometry & MOs

Info

ID:	293403
PubChem CID:	117387239
Reduced:	ClNO2C13H16 (1)
Stoich.:	ABC2D13E16 (1)
Weight, g/mol:	253.086957
ΔH_f, kcal/mol:	-63.31
Dipole, Da:	3.4
IP(EA), eV:	-8.85(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-chloro-4-ethyl-1,3-benzodioxol-5-yl)cyclobutan-1-amine

Drug info:

PubChemData

Smile

CC1=C2C(=C(C=C1C3(CCC3)N)Cl)OCCO2

DOS

IR

Vibrations