Geometry & MOs

Info

ID:	204146
PubChem CID:	79919027
Reduced:	ON2C6H6 (2)
Stoich.:	AB2C6D6 (2)
Weight, g/mol:	297.96209
ΔH_f, kcal/mol:	5.3
Dipole, Da:	3.61
IP(EA), eV:	-8.82(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(5-bromo-2-chlorophenyl)pyrimidine-4,5-diamine

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)CNC3=NC=NC=C3N

DOS

IR

Vibrations