Geometry & MOs

Info

ID:	210883
PubChem CID:	80867774
Reduced:	ClN6C11H15 (1)
Stoich.:	AB6C11D15 (1)
Weight, g/mol:	274.190595
ΔH_f, kcal/mol:	69.73
Dipole, Da:	4.12
IP(EA), eV:	-8.98(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3,5-diethyl-1,2,4-triazol-1-yl)-N,5-diethylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CCC1=NN(C(=N1)CC)C2=NC(=NC=C2Cl)NC

DOS

IR

Vibrations