Geometry & MOs

Info

ID:	374709
PubChem CID:	131342518
Reduced:	BrN2O4H5C7 (1)
Stoich.:	AB2C4D5E7 (1)
Weight, g/mol:	199.064471
ΔH_f, kcal/mol:	-56.57
Dipole, Da:	6.91
IP(EA), eV:	-10.3(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(3-amino-2-fluoro-4-hydroxyphenyl)acetate

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1[N+](=O)[O-])C(=O)N)O)Br

DOS

IR

Vibrations