Geometry & MOs

Info

ID:	336299
PubChem CID:	127255306
Reduced:	N3O3H21C25 (1)
Stoich.:	A3B3C21D25 (1)
Weight, g/mol:	496.17467
ΔH_f, kcal/mol:	-34.97
Dipole, Da:	2.37
IP(EA), eV:	-9.25(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(9,10-dimethoxy-5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-(1-methylindol-5-yl)acetamide

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=C1)C(=O)CN2C3C4=CC=CC=C4C(=O)N3C5=CC=CC=C5C2=O

DOS

IR

Vibrations