Geometry & MOs

Info

ID:	247833
PubChem CID:	103076953
Reduced:	ClON5C10H12 (1)
Stoich.:	ABC5D10E12 (1)
Weight, g/mol:	267.125073
ΔH_f, kcal/mol:	53.89
Dipole, Da:	5.9
IP(EA), eV:	-9.63(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(N2C(=NC=N2)N=C1Cl)NC3(CC3)CO

DOS

IR

Vibrations