Geometry & MOs

Info

ID:	272827
PubChem CID:	103760434
Reduced:	NOC14H15 (1)
Stoich.:	ABC14D15 (1)
Weight, g/mol:	311.97098
ΔH_f, kcal/mol:	8.99
Dipole, Da:	5.03
IP(EA), eV:	-9.02(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromo-5-fluorophenyl)-5-fluoropyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C#N)OC2CCCC=C2

DOS

IR

Vibrations