Geometry & MOs

Info

ID:	264677
PubChem CID:	103481793
Reduced:	BrClOSN3H9C14 (1)
Stoich.:	ABCDE3F9G14 (1)
Weight, g/mol:	297.96209
ΔH_f, kcal/mol:	22.14
Dipole, Da:	4.6
IP(EA), eV:	-8.61(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(2-bromo-3-chlorophenyl)pyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)Br)NC(=O)C2=C(C3=C(S2)C=NC=C3)N

DOS

IR

Vibrations