Geometry & MOs

Info

ID:	294461
PubChem CID:	117462238
Reduced:	ClF2N2O2H9C12 (1)
Stoich.:	AB2C2D2E9F12 (1)
Weight, g/mol:	286.024416
ΔH_f, kcal/mol:	-126.99
Dipole, Da:	9.5
IP(EA), eV:	-10.04(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(6-chloro-5-formyl-2,3-dihydro-1,4-benzodioxin-8-yl)-2-hydroxyacetate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1F)C2=CC(=NN2C)C(=O)O)F)Cl

DOS

IR

Vibrations