Geometry & MOs

Info

ID:	267599
PubChem CID:	103582936
Reduced:	BrClON3C13H13 (1)
Stoich.:	ABCD3E13F13 (1)
Weight, g/mol:	340.99305
ΔH_f, kcal/mol:	10.92
Dipole, Da:	3.99
IP(EA), eV:	-8.44(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-amino-2-methoxyphenyl)methyl]-5-bromo-3-chloropyridin-2-amine

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CNC2=C(C=C(C=N2)Br)Cl)N

DOS

IR

Vibrations