Geometry & MOs

Info

ID:	254369
PubChem CID:	103124734
Reduced:	NOC5H8 (2)
Stoich.:	ABC5D8 (2)
Weight, g/mol:	258.136828
ΔH_f, kcal/mol:	-88.41
Dipole, Da:	2.83
IP(EA), eV:	-8.54(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(oxolan-2-yl)-1-pyrazolo[1,5-a]pyridin-3-ylbutan-1-one

Drug info:

PubChemData

Smile

C1CCC(C1)(CN2C=CNC2=O)CO

DOS

IR

Vibrations