Geometry & MOs

Info

ID:	285209
PubChem CID:	104098670
Reduced:	SN2O2C11H20 (1)
Stoich.:	AB2C2D11E20 (1)
Weight, g/mol:	227.132157
ΔH_f, kcal/mol:	-85.68
Dipole, Da:	3.29
IP(EA), eV:	-9.55(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-fluoro-2-methylphenyl)methylamino]-2-methylpropane-1,3-diol

Drug info:

PubChemData

Smile

CC(C)C1=NC=C(S1)CNC(C)(CO)CO

DOS

IR

Vibrations