Geometry & MOs

Info

ID:	202634
PubChem CID:	79702529
Reduced:	BrFN3H5C7 (1)
Stoich.:	ABC3D5E7 (1)
Weight, g/mol:	303.02702
ΔH_f, kcal/mol:	52.66
Dipole, Da:	2.92
IP(EA), eV:	-10.05(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-bromo-5-fluorophenyl)methyl-propan-2-ylamino]acetic acid

Drug info:

PubChemData

Smile

C1=C(C=C(C=C1F)Br)CN=[N+]=[N-]

DOS

IR

Vibrations