Geometry & MOs

Info

ID:	274681
PubChem CID:	103810986
Reduced:	ClION2H10C15 (1)
Stoich.:	ABCD2E10F15 (1)
Weight, g/mol:	334.9461
ΔH_f, kcal/mol:	39.3
Dipole, Da:	7.46
IP(EA), eV:	-9.33(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-N-(2-chloro-4-cyanophenyl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC2=C(C=C(C=C2)C#N)Cl)I

DOS

IR

Vibrations