Geometry & MOs

Info

ID:	318032
PubChem CID:	126648470
Reduced:	O3C26H44 (1)
Stoich.:	A3B26C44 (1)
Weight, g/mol:	338.00662
ΔH_f, kcal/mol:	-177.41
Dipole, Da:	6.53
IP(EA), eV:	-9.95(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[(3-fluorophenyl)methyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCCC(=O)CCCCCCCC(=O)/C=C/CCCCCCC/C=C/C(=O)CC

DOS

IR

Vibrations