Geometry & MOs

Info

ID:	293513
PubChem CID:	117392197
Reduced:	ClNO3C12H14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	255.066221
ΔH_f, kcal/mol:	-96.76
Dipole, Da:	3.96
IP(EA), eV:	-8.88(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(7-chloro-6-ethyl-1,3-benzodioxol-5-yl)-2-(methylamino)ethanone

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1C(=O)CNC)OCCO2)Cl

DOS

IR

Vibrations