Geometry & MOs

Info

ID:	261607
PubChem CID:	103241910
Reduced:	O2F3N3C8H10 (1)
Stoich.:	A2B3C3D8E10 (1)
Weight, g/mol:	331.02193
ΔH_f, kcal/mol:	-226.49
Dipole, Da:	5.18
IP(EA), eV:	-8.56(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[(2-bromo-5-fluorophenyl)methylamino]methyl]oxolane-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=NC(=C(C(=O)N1)N)OCCCC(F)(F)F

DOS

IR

Vibrations