Geometry & MOs

Info

ID:

298148

PubChem CID:

117647745

Reduced:

N3H63C91 (1)

Stoich.:

A3B63C91 (1)

Weight, g/mol:

772.356597

ΔHf, kcal/mol:

408.68

Dipole, Da:

2.68

IP(EA), eV:

 -7.76(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10,10,20,20-tetramethyl-N,N-diphenyl-17-[6-(N-phenylanilino)naphthalen-2-yl]-2,12-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=C(C=C2)N(C3=CC=CC=C3)C4=CC5=C(C=C4)C6=CC7=C(C8=C(C7(C9=CC=CC=C9)C1=CC=CC=C1)C=C(C=C8)N(C1=CC=CC=C1)C1=C(C=C(C=C1)C1=CC=CC=C1)C1=CC=CC=C1)N=C6C5(C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations