Geometry & MOs

Info

ID:	80642
PubChem CID:	49835713
Reduced:	FON9C23H26 (1)
Stoich.:	ABC9D23E26 (1)
Weight, g/mol:	507.206198
ΔH_f, kcal/mol:	60.33
Dipole, Da:	3.85
IP(EA), eV:	-8.82(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2-N-[1-(4-fluorophenyl)ethyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)F)NC2=NC(=NC(=N2)NC3=NNC(=C3)C4=CC=CO4)N5CCN(CC5)C

DOS

IR

Vibrations