Geometry & MOs

Info

ID:	334356
PubChem CID:	127252908
Reduced:	N2O7C21H22 (1)
Stoich.:	A2B7C21D22 (1)
Weight, g/mol:	490.200491
ΔH_f, kcal/mol:	-221.73
Dipole, Da:	7.34
IP(EA), eV:	-9.04(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-oxo-4-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)butyl]-6aH-isoindolo[2,3-a]quinazoline-5,11-dione

Drug info:

PubChemData

Smile

CN1CCC2=C(C3=C(C(=C2C1=O)O)OCO3)CNC(=O)C4=C(C=C(C=C4)OC)OC

DOS

IR

Vibrations