Geometry & MOs

Info

ID:	352956
PubChem CID:	127284047
Reduced:	O2N3C15H27 (1)
Stoich.:	A2B3C15D27 (1)
Weight, g/mol:	391.175673
ΔH_f, kcal/mol:	-111.66
Dipole, Da:	5.7
IP(EA), eV:	-9.16(0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-6-[2-oxo-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

Drug info:

PubChemData

Smile

CCN1CCCCC1C(=O)N2CCCN(CC2)C(=O)C

DOS

IR

Vibrations