Geometry & MOs

Info

ID:	210799
PubChem CID:	80857287
Reduced:	BrClN6C8H8 (1)
Stoich.:	ABC6D8E8 (1)
Weight, g/mol:	326.04907
ΔH_f, kcal/mol:	90.68
Dipole, Da:	1.54
IP(EA), eV:	-9.52(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-propoxy-1,3,5-triazin-2-amine

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=NC(=NC(=N2)N)Cl)C)Br

DOS

IR

Vibrations