Geometry & MOs

Info

ID:	59461
PubChem CID:	24874993
Reduced:	F3N3O4H22C29 (1)
Stoich.:	A3B3C4D22E29 (1)
Weight, g/mol:	282.148061
ΔH_f, kcal/mol:	-180.42
Dipole, Da:	4.44
IP(EA), eV:	-8.99(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COC2=C(O1)C=CC(=C2)C3(C4=CC=CC=C4C(=N3)N)C5=CC=CC(=C5)C6=CN=CC=C6.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations