Geometry & MOs

Info

ID:	293379
PubChem CID:	117386467
Reduced:	NSO3C12H15 (1)
Stoich.:	ABC3D12E15 (1)
Weight, g/mol:	253.15904
ΔH_f, kcal/mol:	-67.76
Dipole, Da:	5.0
IP(EA), eV:	-9.63(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-2-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]ethanol

Drug info:

PubChemData

Smile

CNCC(=O)C1=CC=C(C=C1)S(=O)(=O)C2CC2

DOS

IR

Vibrations