Geometry & MOs

Info

ID:	293512
PubChem CID:	117392187
Reduced:	ClNO3C12H14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	255.066221
ΔH_f, kcal/mol:	-100.1
Dipole, Da:	3.42
IP(EA), eV:	-9.02(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C2C(=CC(=C1C(=O)CNC)Cl)OCCO2

DOS

IR

Vibrations