Geometry & MOs

Info

ID:	391253
PubChem CID:	135003899
Reduced:	O3C16H32 (1)
Stoich.:	A3B16C32 (1)
Weight, g/mol:	296.079707
ΔH_f, kcal/mol:	-201.69
Dipole, Da:	2.51
IP(EA), eV:	-10.51(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-methoxybenzoyl)-1H-quinazoline-2,4-dione

Drug info:

PubChemData

Smile

CCCCCCC[C@H](C[C@H](CCCCC)O)OC=O

DOS

IR

Vibrations