Geometry & MOs

Info

ID:	210403
PubChem CID:	80802308
Reduced:	O3N5C11H19 (1)
Stoich.:	A3B5C11D19 (1)
Weight, g/mol:	310.02294
ΔH_f, kcal/mol:	-106.03
Dipole, Da:	2.95
IP(EA), eV:	-9.7(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[1-(4-bromophenyl)ethyl]-5-fluoropyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CCCOC1=NC(=NC(=N1)NC(C)C(=O)OCC)N

DOS

IR

Vibrations