Geometry & MOs

Info

ID:	22769
PubChem CID:	598677
Reduced:	FNO3C9H12 (1)
Stoich.:	ABC3D9E12 (1)
Weight, g/mol:	201.080121
ΔH_f, kcal/mol:	-154.06
Dipole, Da:	3.02
IP(EA), eV:	-8.84(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-amino-1-hydroxyethyl)-5-fluoro-2-methoxyphenol

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)C(CN)O)F)O

DOS

IR

Vibrations