Geometry & MOs

Info

ID:	261497
PubChem CID:	103236472
Reduced:	FO2N3H12C13 (1)
Stoich.:	AB2C3D12E13 (1)
Weight, g/mol:	266.052527
ΔH_f, kcal/mol:	-59.57
Dipole, Da:	3.86
IP(EA), eV:	-9.58(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(3-fluorophenyl)methylamino]methyl]-1,3-thiazole-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)F)CNCC2=NC=NC=C2C(=O)O

DOS

IR

Vibrations