Geometry & MOs

Info

ID:	210882
PubChem CID:	80867773
Reduced:	ClN6C10H13 (1)
Stoich.:	AB6C10D13 (1)
Weight, g/mol:	266.104672
ΔH_f, kcal/mol:	70.03
Dipole, Da:	3.22
IP(EA), eV:	-9.18(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-4-(3,5-diethyl-1,2,4-triazol-1-yl)-N-methylpyrimidin-2-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations