Geometry & MOs

Info

ID:

427791

PubChem CID:

135163021

Reduced:

N3H37C50 (1)

Stoich.:

A3B37C50 (1)

Weight, g/mol:

734.329714

ΔHf, kcal/mol:

227.46

Dipole, Da:

3.08

IP(EA), eV:

 -8.06(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-(9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1,3,5,7,10,12,16,20,22,24-decaen-9-yl)phenyl]-N-(4-phenylcyclohexa-1,3-dien-1-yl)-5a,9a-dihydrodibenzofuran-2-amine

Drug info:

PubChemData

Smile

C1C2C=CC=CC2=CC=C1C3NC(C=C(N3)C4=CC=CC=C4)C5=CC(=CC=C5)N6C7=CC=CC=C7C8=C6C9=CC=CC=C9C1=C8C2=CC=CC=C2C=C1

DOS

IR

Vibrations