Geometry & MOs

Info

ID:	336278
PubChem CID:	127255285
Reduced:	ON6C14H20 (1)
Stoich.:	AB6C14D20 (1)
Weight, g/mol:	421.163771
ΔH_f, kcal/mol:	45.72
Dipole, Da:	3.16
IP(EA), eV:	-10.09(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9,10-dimethoxy-6-(2-oxo-2-pyrrolidin-1-ylethyl)-6aH-isoindolo[2,3-a]quinazoline-5,11-dione

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)NCCC1=CC=CC=N1)N2C=NN=N2

DOS

IR

Vibrations