Geometry & MOs

Info

ID:	294126
PubChem CID:	117427373
Reduced:	ClNO3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	269.081871
ΔH_f, kcal/mol:	-109.73
Dipole, Da:	1.47
IP(EA), eV:	-8.65(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-1-(7-chloro-5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-one

Drug info:

PubChemData

Smile

C1CCC(CC1)(C2=CC3=C(C(=C2O)Cl)OCO3)N

DOS

IR

Vibrations