Geometry & MOs

Info

ID:	126628
PubChem CID:	50970645
Reduced:	ON5H13C15 (1)
Stoich.:	AB5C13D15 (1)
Weight, g/mol:	255.123243
ΔH_f, kcal/mol:	104.54
Dipole, Da:	2.67
IP(EA), eV:	-9.2(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidine

Drug info:

PubChemData

Smile

C1CC1C2=NC(=NN2)C3=CC(=CC=C3)OC4=NC=CC=N4

DOS

IR

Vibrations