Geometry & MOs

Info

ID:	203827
PubChem CID:	79876109
Reduced:	BrN4O4H5C11 (1)
Stoich.:	AB4C4D5E11 (1)
Weight, g/mol:	312.027725
ΔH_f, kcal/mol:	-6.11
Dipole, Da:	3.84
IP(EA), eV:	-10.45(-2.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-chloro-2-methylphenoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1N2C=C(C(=O)NC2=O)C#N)[N+](=O)[O-])Br

DOS

IR

Vibrations