Geometry & MOs

Info

ID:	205777
PubChem CID:	80156309
Reduced:	OF2N2C14H14 (1)
Stoich.:	AB2C2D14E14 (1)
Weight, g/mol:	262.077599
ΔH_f, kcal/mol:	-72.36
Dipole, Da:	3.26
IP(EA), eV:	-9.22(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(2-thiophen-3-ylethylamino)methyl]pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CNCC1=CN=C(C=C1)COC2=C(C=C(C=C2)F)F

DOS

IR

Vibrations