Geometry & MOs

Info

ID:	59521
PubChem CID:	24875238
Reduced:	ON4H20C25 (1)
Stoich.:	AB4C20D25 (1)
Weight, g/mol:	282.148061
ΔH_f, kcal/mol:	109.86
Dipole, Da:	5.81
IP(EA), eV:	-8.98(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(piperidin-4-ylmethyl)-1H-pyrazolo[1,5-a]quinazolin-5-one

Drug info:

PubChemData

Smile

COC1=CN=CC(=C1)C2=CC(=CC=C2)C3(C4=CC=CC=C4C(=N3)N)C5=CC=NC=C5

DOS

IR

Vibrations