Geometry & MOs

Info

ID:	362100
PubChem CID:	127305782
Reduced:	SO2N3C16H23 (1)
Stoich.:	AB2C3D16E23 (1)
Weight, g/mol:	371.19574
ΔH_f, kcal/mol:	-74.1
Dipole, Da:	9.11
IP(EA), eV:	-9.17(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2CCCN(C2)C(=O)CCC3=NC=CS3

DOS

IR

Vibrations