Geometry & MOs

Info

ID:	59464
PubChem CID:	24874999
Reduced:	ON4C19H22 (1)
Stoich.:	AB4C19D22 (1)
Weight, g/mol:	407.232125
ΔH_f, kcal/mol:	57.29
Dipole, Da:	9.77
IP(EA), eV:	-9.02(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(CN(C1)CC2CC2)C3=CC4=NC(=O)C5=CC=CC=C5N4N3

DOS

IR

Vibrations