Geometry & MOs

Info

ID:

439953

PubChem CID:

135229824

Reduced:

NOH45C63 (1)

Stoich.:

ABC45D63 (1)

Weight, g/mol:

845.365765

ΔHf, kcal/mol:

183.62

Dipole, Da:

2.26

IP(EA), eV:

 -7.78(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(12'S)-N,N-bis(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-13,8'-tetracyclo[7.5.0.02,7.012,14]tetradeca-1(9),2,4,6,10-pentaene]-12'-amine

Drug info:

PubChemData

Smile

CC1(C2=C(C=C(C=C2)N(C3=CC4=C(C=C3)C5=CC=CC=C5C4(C)C)C6=CC7=C(C=C6)C8=CC=CC=C8C79C2=C(C3=CC=CC=C3C=C2)OC2=C9C=CC3=CC=CC=C32)C2=CC=CC=C21)C

DOS

IR

Vibrations