Geometry & MOs

Info

ID:	210639
PubChem CID:	80833026
Reduced:	ClF2N5H10C11 (1)
Stoich.:	AB2C5D10E11 (1)
Weight, g/mol:	278.134303
ΔH_f, kcal/mol:	-33.83
Dipole, Da:	4.25
IP(EA), eV:	-9.76(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[2-(3,5-difluorophenyl)ethyl]-2-N,5-dimethylpyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

C1=C(C=C(C=C1F)F)CCNC2=NC(=NC(=N2)N)Cl

DOS

IR

Vibrations