Geometry & MOs

Info

ID:	261645
PubChem CID:	103243188
Reduced:	BrFNO2C12H15 (1)
Stoich.:	ABCD2E12F15 (1)
Weight, g/mol:	266.072513
ΔH_f, kcal/mol:	-118.74
Dipole, Da:	6.24
IP(EA), eV:	-9.44(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-5-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]furan-3-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Br)CNCCCCC(=O)O)F

DOS

IR

Vibrations