Geometry & MOs

Info

ID:	247840
PubChem CID:	103076996
Reduced:	ClN7C11H12 (1)
Stoich.:	AB7C11D12 (1)
Weight, g/mol:	281.104338
ΔH_f, kcal/mol:	119.63
Dipole, Da:	6.56
IP(EA), eV:	-9.02(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(N2C(=NC=N2)N=C1Cl)NC3=CN(N=C3C)C

DOS

IR

Vibrations