Geometry & MOs

Info

ID:	334782
PubChem CID:	127253457
Reduced:	N4O5C22H22 (1)
Stoich.:	A4B5C22D22 (1)
Weight, g/mol:	450.19032
ΔH_f, kcal/mol:	-27.9
Dipole, Da:	5.37
IP(EA), eV:	-8.94(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9,10-dimethoxy-6-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-6aH-isoindolo[2,3-a]quinazoline-5,11-dione

Drug info:

PubChemData

Smile

C1[C@@H]2CN(C[C@@H]1C3=CC=C(C(=O)N3C2)[N+](=O)[O-])C(=O)C4CC(=O)N(C4)C5=CC=CC=C5

DOS

IR

Vibrations