Geometry & MOs

Info

ID:

84962

PubChem CID:

49870959

Reduced:

O8N23C61H79 (1)

Stoich.:

A8B23C61D79 (1)

Weight, g/mol:

369.124405

ΔHf, kcal/mol:

-183.18

Dipole, Da:

14.65

IP(EA), eV:

 -8.57(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[2-(2-aminoethylamino)ethyl]indeno[1,2-c]isoquinoline-5,11-dione;hydrochloride

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N2)CC3=CN=CN3)CC4=CN=CN4)CCCN=C(N)N)CCCN=C(N)N)CC5=CNC6=CC=CC=C65)CC7=CNC8=CC=CC=C87)CCCN=C(N)N

DOS

IR

Vibrations