Geometry & MOs

Info

ID:	67293
PubChem CID:	46506227
Reduced:	N2O3C12H14 (2)
Stoich.:	A2B3C12D14 (2)
Weight, g/mol:	444.23727
ΔH_f, kcal/mol:	-189.94
Dipole, Da:	8.31
IP(EA), eV:	-8.13(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(4-cyclohexylpiperazin-1-yl)-3-oxopropyl]-6,7-dimethoxy-1H-quinazoline-2,4-dione

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2CCN(CC2)C(=O)CCN3C(=O)C4=CC(=C(C=C4NC3=O)OC)OC

DOS

IR

Vibrations