Geometry & MOs

Info

ID:	210021
PubChem CID:	80751658
Reduced:	F2N4C15H18 (1)
Stoich.:	A2B4C15D18 (1)
Weight, g/mol:	292.149953
ΔH_f, kcal/mol:	-56.84
Dipole, Da:	6.79
IP(EA), eV:	-8.83(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(3,5-difluorophenyl)-5-ethyl-6-N-propylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCNC1=C(C(=NC=N1)NC2=CC(=CC(=C2)F)F)C(C)C

DOS

IR

Vibrations