Geometry & MOs

Info

ID:	271129
PubChem CID:	103644441
Reduced:	FO3N5H10C11 (1)
Stoich.:	AB3C5D10E11 (1)
Weight, g/mol:	254.054755
ΔH_f, kcal/mol:	-33.1
Dipole, Da:	7.13
IP(EA), eV:	-9.36(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]propan-1-ol

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1C(=O)NCC2=CNN=C2)N)[N+](=O)[O-])F

DOS

IR

Vibrations