Geometry & MOs

Info

ID:

298149

PubChem CID:

117647749

Reduced:

NH11C14 (4)

Stoich.:

AB11C14 (4)

Weight, g/mol:

771.361348

ΔHf, kcal/mol:

226.44

Dipole, Da:

2.47

IP(EA), eV:

 -8.0(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10,10,20,20-tetramethyl-N-naphthalen-2-yl-N-phenyl-7-[4-(N-phenylanilino)phenyl]-2-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-17-amine

Drug info:

PubChemData

Smile

CC1(C2=C(C=CC(=C2)C3=CC4=C(C=C3)C=C(C=C4)N(C5=CC=CC=C5)C6=CC=CC=C6)C7=C1N=C8C9=C(C=C(C=C9)N(C1=CC=CC=C1)C1=CC=CC=C1)C(C8=N7)(C)C)C

DOS

IR

Vibrations