Geometry & MOs

Info

ID:	336068
PubChem CID:	127255075
Reduced:	O2N6C25H28 (1)
Stoich.:	A2B6C25D28 (1)
Weight, g/mol:	499.174336
ΔH_f, kcal/mol:	5.37
Dipole, Da:	5.67
IP(EA), eV:	-9.19(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-acetylphenyl)-3-(9,10-dimethoxy-5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)propanamide

Drug info:

PubChemData

Smile

C1CN(CCC1C2=NN=C3N2C=CC=C3)C(=O)CCCCCN4C=NC5=CC=CC=C5C4=O

DOS

IR

Vibrations