Geometry & MOs

Info

ID:	211370
PubChem CID:	80940019
Reduced:	ClFN4C15H18 (1)
Stoich.:	ABC4D15E18 (1)
Weight, g/mol:	413.98777
ΔH_f, kcal/mol:	-18.64
Dipole, Da:	4.33
IP(EA), eV:	-8.72(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(2,4-dibromophenyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCCNC1=CC(=NC(=N1)CC)NC2=C(C=C(C=C2)Cl)F

DOS

IR

Vibrations