Geometry & MOs

Info

ID:	293511
PubChem CID:	117392176
Reduced:	ClNO3C12H14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	255.066221
ΔH_f, kcal/mol:	-81.78
Dipole, Da:	2.25
IP(EA), eV:	-8.75(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(7-chloro-5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-(methylamino)ethanone

Drug info:

PubChemData

Smile

COC1=C(C2=C(C=C1C3(CCC3)N)OCO2)Cl

DOS

IR

Vibrations