Geometry & MOs

Info

ID:	373700
PubChem CID:	131318935
Reduced:	F3N3H8C9 (1)
Stoich.:	A3B3C8D9 (1)
Weight, g/mol:	212.084872
ΔH_f, kcal/mol:	-104.34
Dipole, Da:	4.06
IP(EA), eV:	-10.23(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(5-fluoro-2-hydroxy-3,6-dimethylphenyl)acetate

Drug info:

PubChemData

Smile

C1=CC(=NC=C1C#N)[C@@H](CC(F)(F)F)N

DOS

IR

Vibrations