Geometry & MOs

Info

ID:

439954

PubChem CID:

135229825

Reduced:

NOH47C64 (1)

Stoich.:

ABC47D64 (1)

Weight, g/mol:

831.350115

ΔHf, kcal/mol:

194.4

Dipole, Da:

2.4

IP(EA), eV:

 -7.94(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(9,9-dimethylfluoren-2-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]-2'-amine

Drug info:

PubChemData

Smile

CC1(C2=C(C=C(C=C2)N(C3=CC4=C(C=C3)C(C5=CC=CC=C54)(C)C)[C@]67CC6C8=C(C=C7)C9(C2=C(C3=CC=CC=C3C=C2)OC2=C9C=CC3=CC=CC=C32)C2=CC=CC=C28)C2=CC=CC=C21)C

DOS

IR

Vibrations