Geometry & MOs

Info

ID:	336059
PubChem CID:	127255066
Reduced:	N3O4C13H17 (1)
Stoich.:	A3B4C13D17 (1)
Weight, g/mol:	436.153541
ΔH_f, kcal/mol:	-135.32
Dipole, Da:	7.87
IP(EA), eV:	-8.65(-0.86)
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-methylindol-5-yl)acetamide

Drug info:

PubChemData

Smile

COC1=CNC(=CC1=O)C(=O)NCCN2CCCC2=O

DOS

IR

Vibrations