Geometry & MOs

Info

ID:	210809
PubChem CID:	80857297
Reduced:	ClFN5C9H9 (1)
Stoich.:	ABC5D9E9 (1)
Weight, g/mol:	251.093773
ΔH_f, kcal/mol:	27.97
Dipole, Da:	3.09
IP(EA), eV:	-9.14(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N,2-dimethylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=NC(=NC=C2F)N)C)Cl

DOS

IR

Vibrations