Geometry & MOs

Info

ID:	28592
PubChem CID:	828509
Reduced:	ON3H21C22 (1)
Stoich.:	AB3C21D22 (1)
Weight, g/mol:	347.126991
ΔH_f, kcal/mol:	62.94
Dipole, Da:	2.37
IP(EA), eV:	-8.57(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-tert-butyl-4-oxoquinazolin-3-yl)isoindole-1,3-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNC2=NC3=CC=CC=C3N2CCOC4=CC=CC=C4

DOS

IR

Vibrations