Geometry & MOs

Info

ID:	298204
PubChem CID:	117648033
Reduced:	NH13C20 (4)
Stoich.:	AB13C20 (4)
Weight, g/mol:	625.251798
ΔH_f, kcal/mol:	383.54
Dipole, Da:	2.53
IP(EA), eV:	-7.63(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dinaphthalen-2-yl-5,10-diphenylindolo[3,2-b]indol-3-amine

Drug info:

Smile

C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC4=C(C=C3)N(C5=C4N(C6=C5C=C(C=C6)N(C7=CC8=CC=CC=C8C=C7)C9=CC1=CC=CC=C1C=C9)C1=CC2=CC=CC=C2C=C1)C1=CC=C(C2=CC=CC=C21)C1=CC2=CC=CC=C2C2=CC=CC=C21

DOS

IR

Vibrations