Geometry & MOs

Info

ID:

449412

PubChem CID:

135298390

Reduced:

NH33C53 (1)

Stoich.:

AB33C53 (1)

Weight, g/mol:

507.162314

ΔHf, kcal/mol:

250.92

Dipole, Da:

0.51

IP(EA), eV:

 -8.23(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-naphtho[2,1-b][1]benzofuran-4-yl-1-azahexacyclo[10.10.1.02,11.03,8.016,23.017,22]tricosa-2(11),3,5,7,9,12,14,16(23),17,19,21-undecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC3=C(C=C2)N4C5=CC=CC=C5C6=C4C3=CC(=C6)C7=CC8=C(C=C7)C(C9=CC1=CC=CC=C1C=C98)(C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations