Geometry & MOs

Info

ID:	264681
PubChem CID:	103481933
Reduced:	BrClSN4C14H16 (1)
Stoich.:	ABCD4E14F16 (1)
Weight, g/mol:	368.04034
ΔH_f, kcal/mol:	40.74
Dipole, Da:	2.93
IP(EA), eV:	-8.71(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(2-bromo-3-chlorophenyl)-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCCNC1=CC(=NC(=N1)SC)NC2=C(C(=CC=C2)Cl)Br

DOS

IR

Vibrations