Geometry & MOs

Info

ID:	59462
PubChem CID:	24874997
Reduced:	ON4C16H18 (1)
Stoich.:	AB4C16D18 (1)
Weight, g/mol:	324.195011
ΔH_f, kcal/mol:	39.03
Dipole, Da:	8.26
IP(EA), eV:	-9.04(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(2-methylpropyl)piperidin-3-yl]-1H-pyrazolo[1,5-a]quinazolin-5-one

Drug info:

PubChemData

Smile

CN1CCCC(C1)C2=CC3=NC(=O)C4=CC=CC=C4N3N2

DOS

IR

Vibrations