Geometry & MOs

Info

ID:	378708
PubChem CID:	134224803
Reduced:	NO2C11H11 (1)
Stoich.:	AB2C11D11 (1)
Weight, g/mol:	197.121592
ΔH_f, kcal/mol:	-21.4
Dipole, Da:	1.45
IP(EA), eV:	-9.67(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(2R)-2-aminopropyl]-3-fluorophenyl]ethanol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=N1)C)C(=O)OCC#C

DOS

IR

Vibrations