Geometry & MOs

Info

ID:	373918
PubChem CID:	131321274
Reduced:	BrN2C13H17 (1)
Stoich.:	AB2C13D17 (1)
Weight, g/mol:	317.90185
ΔH_f, kcal/mol:	17.78
Dipole, Da:	4.54
IP(EA), eV:	-8.75(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-6-chloro-2-(trifluoromethoxy)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC(C1=CNC2=C1C=C(C=C2)Br)N

DOS

IR

Vibrations