Geometry & MOs

Info

ID:	264680
PubChem CID:	103481893
Reduced:	BrClN4C13H14 (1)
Stoich.:	ABC4D13E14 (1)
Weight, g/mol:	385.99676
ΔH_f, kcal/mol:	31.22
Dipole, Da:	4.46
IP(EA), eV:	-8.15(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNC1=CC(=NC(=N1)C)NC2=C(C(=CC=C2)Cl)Br

DOS

IR

Vibrations