Geometry & MOs

Info

ID:	59483
PubChem CID:	24875043
Reduced:	ON4H22C26 (1)
Stoich.:	AB4C22D26 (1)
Weight, g/mol:	310.179361
ΔH_f, kcal/mol:	102.46
Dipole, Da:	6.37
IP(EA), eV:	-8.6(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C2(C3=CC=CC=C3C(=N2)N)C4=CC=CC(=C4)C5=CN=CN=C5)OC

DOS

IR

Vibrations