Geometry & MOs

Info

ID:	294101
PubChem CID:	117427129
Reduced:	ClFO2N3H9C11 (1)
Stoich.:	ABC2D3E9F11 (1)
Weight, g/mol:	269.045486
ΔH_f, kcal/mol:	-51.28
Dipole, Da:	1.58
IP(EA), eV:	-8.93(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-8-[2-(methylamino)acetyl]-2,3-dihydro-1,4-benzodioxine-5-carbaldehyde

Drug info:

PubChemData

Smile

CN1C(=C(C=N1)C2=C3C(=CC(=C2F)Cl)OCO3)N

DOS

IR

Vibrations