Geometry & MOs

Info

ID:	210796
PubChem CID:	80857275
Reduced:	ClF3N6H8C9 (1)
Stoich.:	AB3C6D8E9 (1)
Weight, g/mol:	337.09021
ΔH_f, kcal/mol:	-61.08
Dipole, Da:	5.58
IP(EA), eV:	-10.18(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-ethyl-5-propan-2-ylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CCNC1=NC(=NC(=N1)Cl)N2C=CC(=N2)C(F)(F)F

DOS

IR

Vibrations