Geometry & MOs

Info

ID:	334854
PubChem CID:	127253660
Reduced:	N2O2H11C13 (2)
Stoich.:	A2B2C11D13 (2)
Weight, g/mol:	393.168856
ΔH_f, kcal/mol:	-85.4
Dipole, Da:	6.29
IP(EA), eV:	-8.11(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-(2-methoxyethyl)butanamide

Drug info:

PubChemData

Smile

CC(=O)N1CC2=C(C1=O)C(C3=CN(C4=CC=CC(=C43)N2)C)C5=CC6=C(C=C(C=C6)OC)NC5=O

DOS

IR

Vibrations