Geometry & MOs

Info

ID:	210798
PubChem CID:	80857286
Reduced:	BrON6C12H17 (1)
Stoich.:	ABC6D12E17 (1)
Weight, g/mol:	301.96823
ΔH_f, kcal/mol:	38.88
Dipole, Da:	3.5
IP(EA), eV:	-9.34(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC1=NC(=NC(=N1)OC)N2C(=C(C(=N2)C)Br)C

DOS

IR

Vibrations