Geometry & MOs

Info

ID:	247838
PubChem CID:	103076979
Reduced:	ClN5C14H20 (1)
Stoich.:	AB5C14D20 (1)
Weight, g/mol:	288.089022
ΔH_f, kcal/mol:	54.0
Dipole, Da:	7.44
IP(EA), eV:	-9.06(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-6-methyl-N-[(4-methylpyridin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

Drug info:

PubChemData

Smile

CC1CC(C(N(C1)C2=C(C(=NC3=NC=NN23)Cl)C)C)C

DOS

IR

Vibrations