Geometry & MOs

Info

ID:	210810
PubChem CID:	80857298
Reduced:	ClN5C11H14 (1)
Stoich.:	AB5C11D14 (1)
Weight, g/mol:	291.074769
ΔH_f, kcal/mol:	51.17
Dipole, Da:	2.9
IP(EA), eV:	-9.01(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=NC(=NC(=C2)NC)C)C)Cl

DOS

IR

Vibrations