Geometry & MOs

Info

ID:	267480
PubChem CID:	103582350
Reduced:	BrClN2O2C15H16 (1)
Stoich.:	ABC2D2E15F16 (1)
Weight, g/mol:	276.00289
ΔH_f, kcal/mol:	-27.59
Dipole, Da:	2.48
IP(EA), eV:	-8.42(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-chloro-N-pentan-2-ylpyridin-2-amine

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CCNC2=C(C=C(C=N2)Br)Cl)OC

DOS

IR

Vibrations