Geometry & MOs

Info

ID:	55186
PubChem CID:	17389867
Reduced:	NO4C11H17 (1)
Stoich.:	AB4C11D17 (1)
Weight, g/mol:	245.069951
ΔH_f, kcal/mol:	-141.89
Dipole, Da:	7.29
IP(EA), eV:	-8.28(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-2-(2-fluorophenyl)ethanol;oxalic acid

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1C(CO)N)OC)OC

DOS

IR

Vibrations