Geometry & MOs

Info

ID:	247839
PubChem CID:	103076989
Reduced:	ClN6C13H13 (1)
Stoich.:	AB6C13D13 (1)
Weight, g/mol:	277.084271
ΔH_f, kcal/mol:	107.8
Dipole, Da:	7.73
IP(EA), eV:	-9.39(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=NC=C1)CNC2=C(C(=NC3=NC=NN23)Cl)C

DOS

IR

Vibrations