Geometry & MOs

Info

ID:	59524
PubChem CID:	24875245
Reduced:	ON4H16C22 (1)
Stoich.:	AB4C16D22 (1)
Weight, g/mol:	358.142976
ΔH_f, kcal/mol:	103.61
Dipole, Da:	7.79
IP(EA), eV:	-9.06(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)N=C3N2NC(=C3)CC4=CC(=CC=C4)C5=CN=CC=C5

DOS

IR

Vibrations