Geometry & MOs

Info

ID:	126212
PubChem CID:	50955598
Reduced:	SN2O3C16H18 (1)
Stoich.:	AB2C3D16E18 (1)
Weight, g/mol:	227.132157
ΔH_f, kcal/mol:	-20.8
Dipole, Da:	4.18
IP(EA), eV:	-9.42(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[ethyl-[(2-fluorophenyl)methyl]amino]propane-1,2-diol

Drug info:

PubChemData

Smile

CC(C1=NC=CS1)N(C)C(=O)C2=CC=C(O2)C#CC(C)(C)O

DOS

IR

Vibrations