Geometry & MOs

Info

ID:	285285
PubChem CID:	104098935
Reduced:	ON2C7H8 (2)
Stoich.:	AB2C7D8 (2)
Weight, g/mol:	261.054969
ΔH_f, kcal/mol:	31.48
Dipole, Da:	3.11
IP(EA), eV:	-8.69(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3-fluoropyridin-4-yl)carbamoyl]pyridine-2-carboxylic acid

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1OC(=C2)CNCCN3C=CN=N3

DOS

IR

Vibrations