Geometry & MOs

Info

ID:	324015
PubChem CID:	126676763
Reduced:	F2N5C24H35 (1)
Stoich.:	A2B5C24D35 (1)
Weight, g/mol:	413.94015
ΔH_f, kcal/mol:	-67.59
Dipole, Da:	5.25
IP(EA), eV:	-8.33(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-1-[[3-(bromomethyl)phenyl]methyl]-N-methyl-2-oxopyridine-3-carboxamide

Drug info:

PubChemData

Smile

C/C(=C(/C)\N/C(=N/C(=C)N1CCCC1C(=C)N)/C)/C2=CC(=NC=C2)C(C)(C)C(C)(F)F

DOS

IR

Vibrations