Geometry & MOs

Info

ID:	176329
PubChem CID:	76034623
Reduced:	N2O7C26H34 (1)
Stoich.:	A2B7C26D34 (1)
Weight, g/mol:	332.124646
ΔH_f, kcal/mol:	-234.17
Dipole, Da:	1.96
IP(EA), eV:	-8.74(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

3-[2-(2,4-dioxo-4aH-quinazolin-3-yl)pentanoylamino]propanoate

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C2C3=C(C(=O)N2CCN4CCOCC4)OC5CCCCC5C3=O

DOS

IR

Vibrations