Geometry & MOs

Info

ID:	210404
PubChem CID:	80802340
Reduced:	BrFN4C12H12 (1)
Stoich.:	ABC4D12E12 (1)
Weight, g/mol:	312.09533
ΔH_f, kcal/mol:	17.71
Dipole, Da:	3.33
IP(EA), eV:	-9.04(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[(3-chloro-4-fluorophenyl)methyl]-5-fluoro-2-N-propylpyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)Br)NC2=NC(=NC=C2F)N

DOS

IR

Vibrations