Geometry & MOs

Info

ID:	180292
PubChem CID:	76609172
Reduced:	N3O3C30H35 (1)
Stoich.:	A3B3C30D35 (1)
Weight, g/mol:	285.091355
ΔH_f, kcal/mol:	51.33
Dipole, Da:	8.98
IP(EA), eV:	-8.56(-1.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-aminophenyl)-6-fluoro-7-methyl-4aH-quinazoline-2,4-dione

Drug info:

PubChemData

Smile

CC1=NC2=C(C=C1)C3=C(C=C2)OCC(O3)CN4C5CCC4CC(C5)CC6=CC=CCCC(=O)NC=C6

DOS

IR

Vibrations