Geometry & MOs

Info

ID:	292729
PubChem CID:	117357498
Reduced:	SO5C10H10 (1)
Stoich.:	AB5C10D10 (1)
Weight, g/mol:	242.106671
ΔH_f, kcal/mol:	-185.72
Dipole, Da:	4.54
IP(EA), eV:	-10.43(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-fluoro-2-methoxy-5-nitrophenyl)-2-methylpropan-2-amine

Drug info:

PubChemData

Smile

C1CS(=O)(=O)C2=C1C=CC(=C2)C(C(=O)O)O

DOS

IR

Vibrations