Geometry & MOs

Info

ID:	362129
PubChem CID:	127305811
Reduced:	SO2N4C19H22 (1)
Stoich.:	AB2C4D19E22 (1)
Weight, g/mol:	393.18009
ΔH_f, kcal/mol:	-28.05
Dipole, Da:	9.01
IP(EA), eV:	-8.84(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]-1H-pyrazolo[1,5-a]quinazolin-5-one

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2CCCN(C2)C(=O)C3=CN=C(S3)C4=CC=CC=N4

DOS

IR

Vibrations