Geometry & MOs

Info

ID:	379523
PubChem CID:	134439979
Reduced:	FN7C21H22 (1)
Stoich.:	AB7C21D22 (1)
Weight, g/mol:	391.192072
ΔH_f, kcal/mol:	115.1
Dipole, Da:	5.61
IP(EA), eV:	-8.6(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3,5-dimethylpyrazol-1-yl)-N-[4-ethyl-5-(4-fluoro-2-methylphenyl)-1H-pyrazol-3-yl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCC1=NN2C/C=N\C(=C/C(=N/C2=C1C3=CC=C(C=C3)F)/N)\N4C(=CC(=N4)C)C

DOS

IR

Vibrations