Geometry & MOs

Info

ID:	267524
PubChem CID:	103582570
Reduced:	BrClN2O2C9H12 (1)
Stoich.:	ABC2D2E9F12 (1)
Weight, g/mol:	339.9978
ΔH_f, kcal/mol:	-77.12
Dipole, Da:	4.08
IP(EA), eV:	-8.76(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-chloro-N-[1-(4-methoxyphenyl)ethyl]pyridin-2-amine

Drug info:

PubChemData

Smile

CC(CNC1=C(C=C(C=N1)Br)Cl)(CO)O

DOS

IR

Vibrations