Geometry & MOs

Info

ID:	362022
PubChem CID:	127305551
Reduced:	OSN5C16H21 (1)
Stoich.:	ABC5D16E21 (1)
Weight, g/mol:	351.169525
ΔH_f, kcal/mol:	36.37
Dipole, Da:	6.54
IP(EA), eV:	-8.84(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-azabicyclo[2.2.2]octan-3-yl)-N-methyl-5-oxo-1H-pyrazolo[1,5-a]quinazoline-3-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=NC(=CS2)C(=O)N(C)C3CN4CCC3CC4

DOS

IR

Vibrations