Geometry & MOs

Info

ID:

440003

PubChem CID:

135229874

Reduced:

NOH45C63 (1)

Stoich.:

ABC45D63 (1)

Weight, g/mol:

831.350115

ΔHf, kcal/mol:

186.16

Dipole, Da:

2.74

IP(EA), eV:

 -8.21(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(9,9-dimethylfluoren-3-yl)-N-(9,9-dimethylfluoren-4-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]-3'-amine

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)N(C4=CC5=C(C=C4)C6(C7=C(C8=CC=CC=C8C=C7)OC9=C6C=CC1=CC=CC=C19)C1=CC=CC=C15)C1=CC2=C(C=C1)C1=CC=CC=C1C2(C)C)C

DOS

IR

Vibrations