Geometry & MOs

Info

ID:	334028
PubChem CID:	127252580
Reduced:	ClO2N3H18C22 (1)
Stoich.:	AB2C3D18E22 (1)
Weight, g/mol:	428.184841
ΔH_f, kcal/mol:	-20.25
Dipole, Da:	6.07
IP(EA), eV:	-8.31(-0.73)
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-pyrrol-1-ylethyl)butanamide

Drug info:

PubChemData

Smile

CC(=O)N1CC2=C(C1=O)C(C3=CN(C4=CC=CC(=C43)N2)C)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations