Geometry & MOs

Info

ID:	270895
PubChem CID:	103638604
Reduced:	OF2N2C13H16 (1)
Stoich.:	AB2C2D13E16 (1)
Weight, g/mol:	314.9774
ΔH_f, kcal/mol:	-115.57
Dipole, Da:	2.6
IP(EA), eV:	-8.81(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-chloro-N-(cyanomethyl)-N-propylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

CN1CCCC1CNC(=O)C2=C(C(=CC=C2)F)F

DOS

IR

Vibrations