Geometry & MOs

Info

ID:	209160
PubChem CID:	80633243
Reduced:	ClON3C12H12 (1)
Stoich.:	ABC3D12E12 (1)
Weight, g/mol:	322.99055
ΔH_f, kcal/mol:	20.18
Dipole, Da:	3.23
IP(EA), eV:	-9.31(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-(4-bromo-2-nitrophenoxy)pyridin-3-yl]methanamine

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1OC2=CC(=CN=C2)Cl)CN

DOS

IR

Vibrations