Geometry & MOs

Info

ID:	67299
PubChem CID:	46506236
Reduced:	FN5O5C29H38 (1)
Stoich.:	AB5C5D29E38 (1)
Weight, g/mol:	525.222348
ΔH_f, kcal/mol:	-220.16
Dipole, Da:	4.05
IP(EA), eV:	-8.09(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,7-dimethoxy-3-[6-[4-(4-nitrophenyl)piperazin-1-yl]-6-oxohexyl]-1H-quinazoline-2,4-dione

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C(=O)N(C(=O)N2)CCCCCC(=O)NCCCN3CCN(CC3)C4=CC=CC=C4F)OC

DOS

IR

Vibrations