Geometry & MOs

Info

ID:	352476
PubChem CID:	127283564
Reduced:	ON4C16H24 (1)
Stoich.:	AB4C16D24 (1)
Weight, g/mol:	378.191657
ΔH_f, kcal/mol:	-9.04
Dipole, Da:	0.6
IP(EA), eV:	-9.64(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,7-dimethyl-6-[3-oxo-3-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]propyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)CC2CC3CCC2C3)N4C=NC=N4

DOS

IR

Vibrations