Geometry & MOs

Info

ID:	247835
PubChem CID:	103076964
Reduced:	ClN5C12H16 (1)
Stoich.:	AB5C12D16 (1)
Weight, g/mol:	281.104338
ΔH_f, kcal/mol:	84.03
Dipole, Da:	7.6
IP(EA), eV:	-9.27(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(N2C(=NC=N2)N=C1Cl)NCCCC3CC3

DOS

IR

Vibrations