Geometry & MOs

Info

ID:	335498
PubChem CID:	127254360
Reduced:	O5N7H29C30 (1)
Stoich.:	A5B7C29D30 (1)
Weight, g/mol:	480.179755
ΔH_f, kcal/mol:	-69.04
Dipole, Da:	7.32
IP(EA), eV:	-8.85(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN1C2=CC=CC=C2/C(=N\NC3=NC4=C(N3CC(COC5=CC6=CC=CC=C6C=C5)O)C(=O)NC(=O)N4C)/C1=O

DOS

IR

Vibrations