Geometry & MOs

Info

ID:	247837
PubChem CID:	103076971
Reduced:	ClON5C13H18 (1)
Stoich.:	ABC5D13E18 (1)
Weight, g/mol:	293.140723
ΔH_f, kcal/mol:	25.61
Dipole, Da:	7.72
IP(EA), eV:	-9.61(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-6-methyl-7-(2,3,5-trimethylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

CC1=C(N2C(=NC=N2)N=C1Cl)N3CCCCCC3CO

DOS

IR

Vibrations