Geometry & MOs

Info

ID:	55187
PubChem CID:	17389868
Reduced:	FNO5C10H12 (1)
Stoich.:	ABC5D10E12 (1)
Weight, g/mol:	299.136887
ΔH_f, kcal/mol:	-235.68
Dipole, Da:	2.56
IP(EA), eV:	-10.03(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-2-(4-butoxyphenyl)ethanol;oxalic acid

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(CO)N)F.C(=O)(C(=O)O)O

DOS

IR

Vibrations