Geometry & MOs

Info

ID:	275958
PubChem CID:	103819455
Reduced:	BrOSN2H11C12 (1)
Stoich.:	ABCD2E11F12 (1)
Weight, g/mol:	344.97246
ΔH_f, kcal/mol:	0.07
Dipole, Da:	4.49
IP(EA), eV:	-9.18(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromopyridin-3-yl)-6-(trifluoromethyl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=C(S1)C(=O)NC2=C(N=CC=C2)Br

DOS

IR

Vibrations