Geometry & MOs

Info

ID:	417956
PubChem CID:	135103173
Reduced:	FN3O4C19H24 (1)
Stoich.:	AB3C4D19E24 (1)
Weight, g/mol:	326.165523
ΔH_f, kcal/mol:	-141.76
Dipole, Da:	5.79
IP(EA), eV:	-9.0(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-4-N,4-N-dimethyl-2-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CC(CNC1=NOC(=C1C(=O)O)C2=CC(=C(C=C2)F)OC)N3CCCCC3

DOS

IR

Vibrations