Geometry & MOs

Info

ID:	211375
PubChem CID:	80941107
Reduced:	ON5C13H23 (1)
Stoich.:	AB5C13D23 (1)
Weight, g/mol:	338.05424
ΔH_f, kcal/mol:	-31.48
Dipole, Da:	0.83
IP(EA), eV:	-8.75(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(4-bromo-3-fluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCC1=NC(=CC(=N1)N2CC(CC2CN(C)C)O)N

DOS

IR

Vibrations