Geometry & MOs

Info

ID:	264679
PubChem CID:	103481892
Reduced:	BrClN4C12H12 (1)
Stoich.:	ABC4D12E12 (1)
Weight, g/mol:	340.00904
ΔH_f, kcal/mol:	44.25
Dipole, Da:	2.88
IP(EA), eV:	-8.89(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=CC(=N1)NC2=C(C(=CC=C2)Cl)Br)NC

DOS

IR

Vibrations