Geometry & MOs

Info

ID:	336098
PubChem CID:	127255105
Reduced:	N4O4H20C21 (1)
Stoich.:	A4B4C20D21 (1)
Weight, g/mol:	427.153206
ΔH_f, kcal/mol:	-10.42
Dipole, Da:	5.79
IP(EA), eV:	-8.74(-1.14)
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-[2-(4-hydroxyphenyl)ethyl]acetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NN3C(=CC=NC3=N2)C4=C(C(=C(C=C4)OC)OC)OC

DOS

IR

Vibrations