Geometry & MOs

Info

ID:	28540
PubChem CID:	828233
Reduced:	N2O3C20H22 (1)
Stoich.:	A2B3C20D22 (1)
Weight, g/mol:	278.141913
ΔH_f, kcal/mol:	-58.73
Dipole, Da:	4.49
IP(EA), eV:	-8.68(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methylphenyl)-2-propylquinazolin-4-one

Drug info:

PubChemData

Smile

C1CCCN(CC1)C(=O)C(=CC2=CC=CO2)NC(=O)C3=CC=CC=C3

DOS

IR

Vibrations