Geometry & MOs

Info

ID:

8748

PubChem CID:

80929

Reduced:

N2O4H20C41 (1)

Stoich.:

A2B4C20D41 (1)

Weight, g/mol:

604.142307

ΔHf, kcal/mol:

42.79

Dipole, Da:

6.87

IP(EA), eV:

 -8.79(-2.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-(14-oxo-8-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-1,3,5,7,9,11,13(21),15,17,19-decaen-4-yl)-13H-naphtho[2,3-c]acridine-5,8,14-trione

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C4C=C(C=CC4=NC5=CC=CC(=C53)C2=O)C6=CC7=C(C=C6)NC8=C(C7=O)C=CC9=C8C(=O)C1=CC=CC=C1C9=O

DOS

IR

Vibrations