Geometry & MOs

Info

ID:	247834
PubChem CID:	103076957
Reduced:	ClN5C12H18 (1)
Stoich.:	AB5C12D18 (1)
Weight, g/mol:	265.109423
ΔH_f, kcal/mol:	54.45
Dipole, Da:	7.15
IP(EA), eV:	-9.36(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-(3-cyclopropylpropyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

Drug info:

PubChemData

Smile

CCC(CC)CNC1=C(C(=NC2=NC=NN12)Cl)C

DOS

IR

Vibrations