Geometry & MOs

Info

ID:

298153

PubChem CID:

117647778

Reduced:

N6H38C49 (1)

Stoich.:

A6B38C49 (1)

Weight, g/mol:

660.25992

ΔHf, kcal/mol:

235.85

Dipole, Da:

1.73

IP(EA), eV:

 -8.06(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-dibenzothiophen-2-yl-10,10,20,20-tetramethyl-N,N-diphenyl-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=NC(=NC(=N3)C4=CC=CC=C4)C5=CC=CC=C5)C6=C1N=C7C8=C(C=C(C=C8)N(C9=CC=CC=C9)C1=CC=CC=C1)C(C7=N6)(C)C)C

DOS

IR

Vibrations