Geometry & MOs

Info

ID:	264678
PubChem CID:	103481840
Reduced:	BrClN4H8C10 (1)
Stoich.:	ABC4D8E10 (1)
Weight, g/mol:	325.99339
ΔH_f, kcal/mol:	54.93
Dipole, Da:	2.82
IP(EA), eV:	-9.02(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)Br)NC2=NC=NC(=C2)N

DOS

IR

Vibrations