Geometry & MOs

Info

ID:	334080
PubChem CID:	127252632
Reduced:	O3N6H22C23 (1)
Stoich.:	A3B6C22D23 (1)
Weight, g/mol:	463.149183
ΔH_f, kcal/mol:	-7.73
Dipole, Da:	6.9
IP(EA), eV:	-9.05(-0.91)
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-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]acetamide

Drug info:

PubChemData

Smile

CN1C=NC(=N1)CNC(=O)CCCN2C3C4=CC=CC=C4C(=O)N3C5=CC=CC=C5C2=O

DOS

IR

Vibrations