Geometry & MOs

Info

ID:	261491
PubChem CID:	103236089
Reduced:	BrNF2O2H10C14 (1)
Stoich.:	ABC2D2E10F14 (1)
Weight, g/mol:	248.061949
ΔH_f, kcal/mol:	-134.71
Dipole, Da:	4.39
IP(EA), eV:	-8.8(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(pyridin-4-ylmethylamino)methyl]thiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(=O)O)Br)CNC2=CC(=CC(=C2)F)F

DOS

IR

Vibrations