Geometry & MOs

Info

ID:	334348
PubChem CID:	127252900
Reduced:	N4O5H18C26 (1)
Stoich.:	A4B5C18D26 (1)
Weight, g/mol:	479.148121
ΔH_f, kcal/mol:	-3.68
Dipole, Da:	2.44
IP(EA), eV:	-8.41(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dimethoxy-6-[2-(4-oxoquinazolin-3-yl)ethyl]indeno[1,2-c]isoquinoline-5,11-dione

Drug info:

PubChemData

Smile

COC1=C(C2=C(C=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CC5=NC(=NO5)C6=CN=CC=C6)OC

DOS

IR

Vibrations