Geometry & MOs

Info

ID:	298206
PubChem CID:	117648039
Reduced:	N3H43C62 (1)
Stoich.:	A3B43C62 (1)
Weight, g/mol:	651.267448
ΔH_f, kcal/mol:	287.21
Dipole, Da:	0.87
IP(EA), eV:	-7.58(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-naphthalen-2-yl-N,N,5,10-tetraphenylindolo[3,2-b]indol-3-amine

Drug info:

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)N4C5=C(C=C(C=C5)N(C6=CC=CC=C6)C7=CC=CC=C7)C8=C4C9=CC=CC=C9N8C1=CC=C(C=C1)C1=CC=C(C=C1)C1=CC=CC=C1

DOS

IR

Vibrations