Geometry & MOs

Info

ID:	374713
PubChem CID:	131342526
Reduced:	FNO3C8H8 (1)
Stoich.:	ABC3D8E8 (1)
Weight, g/mol:	185.048821
ΔH_f, kcal/mol:	-157.46
Dipole, Da:	4.41
IP(EA), eV:	-9.14(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-amino-2-fluoro-3-hydroxybenzoate

Drug info:

PubChemData

Smile

COC(=O)C1=C(C(=C(C=C1)N)F)O

DOS

IR

Vibrations