Geometry & MOs

Info

ID:	193282
PubChem CID:	78369725
Reduced:	ON4H12C20 (1)
Stoich.:	AB4C12D20 (1)
Weight, g/mol:	313.086269
ΔH_f, kcal/mol:	141.89
Dipole, Da:	5.67
IP(EA), eV:	-8.65(-2.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-dioxo-4aH-quinazolin-3-yl)-N-(4-fluorophenyl)acetamide

Drug info:

PubChemData

Smile

C=C1C=CC2=NC(=NC(=O)C2=C1)C(=CC3=CNC4=CC=CC=C43)C#N

DOS

IR

Vibrations