Geometry & MOs

Info

ID:	59453
PubChem CID:	24874906
Reduced:	OSN3H9C14 (1)
Stoich.:	ABC3D9E14 (1)
Weight, g/mol:	291.100777
ΔH_f, kcal/mol:	82.88
Dipole, Da:	8.91
IP(EA), eV:	-9.09(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methoxyphenyl)-1H-pyrazolo[1,5-a]quinazolin-5-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)N=C3N2NC(=C3)C4=CC=CS4

DOS

IR

Vibrations