Geometry & MOs

Info

ID:	275930
PubChem CID:	103819222
Reduced:	BrN3O3H10C13 (1)
Stoich.:	AB3C3D10E13 (1)
Weight, g/mol:	361.96779
ΔH_f, kcal/mol:	-2.01
Dipole, Da:	4.32
IP(EA), eV:	-9.52(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromopyridin-3-yl)-2-fluoro-5-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)[N+](=O)[O-])CC(=O)NC2=C(N=CC=C2)Br

DOS

IR

Vibrations