Geometry & MOs

Info

ID:	267640
PubChem CID:	103583078
Reduced:	BrClN2O3C14H14 (1)
Stoich.:	ABC2D3E14F14 (1)
Weight, g/mol:	338.01854
ΔH_f, kcal/mol:	-58.91
Dipole, Da:	3.51
IP(EA), eV:	-8.44(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-(4-tert-butylphenyl)-3-chloropyridin-2-amine

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)NC2=C(C=C(C=N2)Br)Cl

DOS

IR

Vibrations