Geometry & MOs

Info

ID:	272701
PubChem CID:	103752034
Reduced:	BrON4C12H13 (1)
Stoich.:	ABC4D12E13 (1)
Weight, g/mol:	322.0117
ΔH_f, kcal/mol:	19.45
Dipole, Da:	5.93
IP(EA), eV:	-8.92(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)N1C(=CC=N1)NC(=O)C2=C(N=CC=C2)Br

DOS

IR

Vibrations