Geometry & MOs

Info

ID:	290501
PubChem CID:	104643187
Reduced:	BrFON2C11H14 (1)
Stoich.:	ABCD2E11F14 (1)
Weight, g/mol:	328.05865
ΔH_f, kcal/mol:	-81.39
Dipole, Da:	2.0
IP(EA), eV:	-9.72(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(bromomethyl)-4-methylcyclohexyl]-5-fluoropyridine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C)(CBr)NC(=O)C1=NC=C(C=C1)F

DOS

IR

Vibrations