Geometry & MOs

Info

ID:	67294
PubChem CID:	46506228
Reduced:	N4O5C23H32 (1)
Stoich.:	A4B5C23D32 (1)
Weight, g/mol:	440.180818
ΔH_f, kcal/mol:	-201.57
Dipole, Da:	6.11
IP(EA), eV:	-8.5(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,7-dimethoxy-3-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1H-quinazoline-2,4-dione

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C(=O)N(C(=O)N2)CCC(=O)N3CCN(CC3)C4CCCCC4)OC

DOS

IR

Vibrations