Geometry & MOs

Info

ID:	294207
PubChem CID:	117435215
Reduced:	NF3O3H10C12 (1)
Stoich.:	AB3C3D10E12 (1)
Weight, g/mol:	273.081264
ΔH_f, kcal/mol:	-218.5
Dipole, Da:	7.3
IP(EA), eV:	-9.42(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-2-[7-(difluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]propanoic acid

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)C(F)(F)F)C2(CC2)N=C=O)O

DOS

IR

Vibrations