Geometry & MOs

Info

ID:	352628
PubChem CID:	127283717
Reduced:	N3O3C21H31 (1)
Stoich.:	A3B3C21D31 (1)
Weight, g/mol:	345.216475
ΔH_f, kcal/mol:	-122.77
Dipole, Da:	3.68
IP(EA), eV:	-8.98(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[(1-propylpiperidin-4-yl)methyl]acetamide

Drug info:

PubChemData

Smile

C1CCCN(CC1)C(=O)CCNC(=O)C2=CC=CC(=C2)CN3CCOCC3

DOS

IR

Vibrations