Geometry & MOs

Info

ID:	187376
PubChem CID:	77566772
Reduced:	FN2O2C9H11 (1)
Stoich.:	AB2C2D9E11 (1)
Weight, g/mol:	484.226599
ΔH_f, kcal/mol:	-113.58
Dipole, Da:	3.52
IP(EA), eV:	-9.76(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-(4-fluorophenyl)-3-(4-methylpiperazin-1-yl)propyl]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(CNC(=O)O)N)F

DOS

IR

Vibrations