Geometry & MOs

Info

ID:	59451
PubChem CID:	24874898
Reduced:	ClNO6C19H24 (1)
Stoich.:	ABC6D19E24 (1)
Weight, g/mol:	251.069477
ΔH_f, kcal/mol:	-218.71
Dipole, Da:	2.04
IP(EA), eV:	-8.94(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)O)OC1=CC=C(C=C1)OC2=CC=C(C=C2)Cl.C(CO)NCCO

DOS

IR

Vibrations