Geometry & MOs

Info

ID:	272943
PubChem CID:	103768450
Reduced:	O3N4C12H20 (1)
Stoich.:	A3B4C12D20 (1)
Weight, g/mol:	261.15896
ΔH_f, kcal/mol:	-92.72
Dipole, Da:	4.18
IP(EA), eV:	-9.52(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-N-[1-(oxan-4-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

Drug info:

PubChemData

Smile

CC(C1CCOCC1)NC2=NC(=NC(=N2)OC)OC

DOS

IR

Vibrations