Geometry & MOs

Info

ID:	229866
PubChem CID:	87569391
Reduced:	NCl3H6C7 (1)
Stoich.:	AB3C6D7 (1)
Weight, g/mol:	425.92623
ΔH_f, kcal/mol:	-3.48
Dipole, Da:	4.37
IP(EA), eV:	-9.98(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2,5-dibromopyridin-3-yl)-4-ethoxypteridin-2-amine

Drug info:

PubChemData

Smile

CC1=CC(=NC(=C1CCl)Cl)Cl

DOS

IR

Vibrations