Geometry & MOs

Info

ID:	247842
PubChem CID:	103077007
Reduced:	ClN7C12H14 (1)
Stoich.:	AB7C12D14 (1)
Weight, g/mol:	278.014143
ΔH_f, kcal/mol:	116.52
Dipole, Da:	4.99
IP(EA), eV:	-9.61(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-6-methyl-7-pyrimidin-2-ylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

CC1=C(N2C(=NC=N2)N=C1Cl)NCCC3=CC=NN3C

DOS

IR

Vibrations