Geometry & MOs

Info

ID:	293776
PubChem CID:	117401089
Reduced:	N3F4H9C11 (1)
Stoich.:	A3B4C9D11 (1)
Weight, g/mol:	259.065614
ΔH_f, kcal/mol:	-143.36
Dipole, Da:	4.48
IP(EA), eV:	-9.37(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-[6-(difluoromethyl)-1,3-benzodioxol-4-yl]propanoic acid

Drug info:

PubChemData

Smile

CN1C(=C(C=N1)C2=C(C=CC(=C2)C(F)(F)F)F)N

DOS

IR

Vibrations