Geometry & MOs

Info

ID:	290499
PubChem CID:	104641063
Reduced:	ON5C13H17 (1)
Stoich.:	AB5C13D17 (1)
Weight, g/mol:	314.043
ΔH_f, kcal/mol:	25.23
Dipole, Da:	7.36
IP(EA), eV:	-8.96(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(bromomethyl)cyclohexyl]-5-fluoropyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC(CN1C=CC=N1)NC(=O)C2=NC=C(C=C2)NC

DOS

IR

Vibrations