Geometry & MOs

Info

ID:	374695
PubChem CID:	131342475
Reduced:	BrNF2O3H4C7 (1)
Stoich.:	ABC2D3E4F7 (1)
Weight, g/mol:	185.048821
ΔH_f, kcal/mol:	-122.41
Dipole, Da:	4.68
IP(EA), eV:	-10.04(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-amino-3-fluoro-4-hydroxybenzoate

Drug info:

PubChemData

Smile

C1=C(C(=CC(=C1Br)[N+](=O)[O-])O)C(F)F

DOS

IR

Vibrations