Geometry & MOs

Info

ID:	171297
PubChem CID:	75356382
Reduced:	O2N5C13H13 (1)
Stoich.:	A2B5C13D13 (1)
Weight, g/mol:	199.100857
ΔH_f, kcal/mol:	90.81
Dipole, Da:	9.57
IP(EA), eV:	-9.21(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-2-[1-(2-hydroxyethylamino)ethyl]phenol

Drug info:

PubChemData

Smile

CC(CN1C=CC=N1)NC2=CC(=C(C=C2)C#N)[N+](=O)[O-]

DOS

IR

Vibrations