Geometry & MOs

Info

ID:	247841
PubChem CID:	103077005
Reduced:	ClON5C12H16 (1)
Stoich.:	ABC5D12E16 (1)
Weight, g/mol:	291.099921
ΔH_f, kcal/mol:	33.54
Dipole, Da:	6.02
IP(EA), eV:	-9.61(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(N2C(=NC=N2)N=C1Cl)N3CCCC(C3)OC

DOS

IR

Vibrations