Geometry & MOs

Info

ID:	334513
PubChem CID:	127253188
Reduced:	N3O7C23H25 (1)
Stoich.:	A3B7C23D25 (1)
Weight, g/mol:	407.184506
ΔH_f, kcal/mol:	-219.94
Dipole, Da:	4.59
IP(EA), eV:	-8.35(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-(3-methoxypropyl)butanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=O)N1CCC2=CN=CN2)C(CC(=O)OC)C3=CC4=C(C(=C3)OC)OCO4)O

DOS

IR

Vibrations