Geometry & MOs

Info

ID:	176740
PubChem CID:	76091111
Reduced:	NSO10C36H43 (1)
Stoich.:	ABC10D36E43 (1)
Weight, g/mol:	389.195071
ΔH_f, kcal/mol:	-345.51
Dipole, Da:	6.32
IP(EA), eV:	-8.54(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[1-(1,3-dioxolan-2-ylmethyl)piperidin-4-yl]ethyl]-5-methoxy-4aH-quinazoline-2,4-dione

Drug info:

PubChemData

Smile

CCCOCCCS(=O)(=O)C1=C(C=C(C=C1)C2CCC(O2)C3=CC(=C(C(=C3)OC)OC)OC)OCCCN4C(=O)C5=CC=CC=C5C4=O

DOS

IR

Vibrations