Geometry & MOs

Info

ID:	293777
PubChem CID:	117401098
Reduced:	NF2O4C11H11 (1)
Stoich.:	AB2C4D11E11 (1)
Weight, g/mol:	259.065614
ΔH_f, kcal/mol:	-234.53
Dipole, Da:	5.1
IP(EA), eV:	-9.53(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-2-[6-(1,1-difluoroethyl)-1,3-benzodioxol-4-yl]acetic acid

Drug info:

PubChemData

Smile

C1OC2=CC(=CC(=C2O1)CC(C(=O)O)N)C(F)F

DOS

IR

Vibrations