Geometry & MOs

Info

ID:

439952

PubChem CID:

135229823

Reduced:

NOH45C63 (1)

Stoich.:

ABC45D63 (1)

Weight, g/mol:

831.350115

ΔHf, kcal/mol:

185.62

Dipole, Da:

0.97

IP(EA), eV:

 -7.96(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-amine

Drug info:

PubChemData

Smile

CC1(C2=C(C3=CC=CC=C31)C(=CC=C2)N(C4=CC5=C(C=C4)C(C6=CC=CC=C65)(C)C)C7=CC8=C(C=C7)C9=CC=CC=C9C81C2=C(C3=CC=CC=C3C=C2)OC2=C1C=CC1=CC=CC=C12)C

DOS

IR

Vibrations