Geometry & MOs

Info

ID:	210808
PubChem CID:	80857296
Reduced:	ClN6C12H17 (1)
Stoich.:	AB6C12D17 (1)
Weight, g/mol:	241.053051
ΔH_f, kcal/mol:	46.57
Dipole, Da:	3.49
IP(EA), eV:	-8.88(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-fluoropyrimidin-2-amine

Drug info:

PubChemData

Smile

CCCNC1=CC(=NC(=N1)N)N2C(=C(C(=N2)C)Cl)C

DOS

IR

Vibrations