Geometry & MOs

Info

ID:	275911
PubChem CID:	103819041
Reduced:	ON2H16C17 (1)
Stoich.:	AB2C16D17 (1)
Weight, g/mol:	338.96548
ΔH_f, kcal/mol:	14.51
Dipole, Da:	1.29
IP(EA), eV:	-9.21(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-N-(6-fluoropyridin-3-yl)-5-nitrobenzamide

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1C(=O)NC2=CC=CC(=C2C#N)C

DOS

IR

Vibrations