Geometry & MOs

Info

ID:

298203

PubChem CID:

117648031

Reduced:

N2H19C28 (2)

Stoich.:

A2B19C28 (2)

Weight, g/mol:

1068.419198

ΔHf, kcal/mol:

277.8

Dipole, Da:

1.12

IP(EA), eV:

 -7.72(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-N,3-N,10-trinaphthalen-2-yl-5-(4-phenanthren-9-ylnaphthalen-1-yl)-8-N,8-N-diphenylindolo[3,2-b]indole-3,8-diamine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)N3C4=C(C=C(C=C4)N(C5=CC=CC=C5)C6=CC=CC=C6)C7=C3C8=C(N7C9=CC=CC=C9)C=CC(=C8)N1C2=CC=CC=C2C2=CC=CC=C21

DOS

IR

Vibrations