Geometry & MOs

Info

ID:	294130
PubChem CID:	117427405
Reduced:	ClNO3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	269.081871
ΔH_f, kcal/mol:	-122.11
Dipole, Da:	4.33
IP(EA), eV:	-8.86(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(8-chloro-5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-(methylamino)ethanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C2CC(CN2)C(=O)O)Cl)OC

DOS

IR

Vibrations