Geometry & MOs

Info

ID:	157219
PubChem CID:	56422411
Reduced:	N4O5C18H22 (1)
Stoich.:	A4B5C18D22 (1)
Weight, g/mol:	413.195071
ΔH_f, kcal/mol:	-181.1
Dipole, Da:	3.06
IP(EA), eV:	-9.59(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-2-oxoethyl]-3a-methyl-2,3-dihydropyrrolo[1,2-a]quinazoline-1,5-dione

Drug info:

PubChemData

Smile

CN1C2=C(C=CC(=N2)C(=O)N3CCCCC3C4OCCO4)C(=O)N(C1=O)C

DOS

IR

Vibrations