Geometry & MOs

Info

ID:	334660
PubChem CID:	127253335
Reduced:	N2O5C17H22 (1)
Stoich.:	A2B5C17D22 (1)
Weight, g/mol:	405.168856
ΔH_f, kcal/mol:	-203.23
Dipole, Da:	4.29
IP(EA), eV:	-8.72(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-morpholin-4-yl-4-oxobutyl)-6aH-isoindolo[2,3-a]quinazoline-5,11-dione

Drug info:

PubChemData

Smile

CC(C)CC(=O)NCC1=C2CCN(C(=O)C2=C(C3=C1OCO3)O)C

DOS

IR

Vibrations