Geometry & MOs

Info

ID:

298502

PubChem CID:

117650311

Reduced:

FNH13C16 (2)

Stoich.:

ABC13D16 (2)

Weight, g/mol:

754.334799

ΔHf, kcal/mol:

-0.6

Dipole, Da:

2.35

IP(EA), eV:

 -7.55(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

22-tert-butyl-3,15-diphenylspiro[3,15-diazaheptacyclo[18.6.2.12,16.14,8.110,14.017,27.024,28]hentriaconta-1(27),2(29),4,6,8(31),10(30),11,13,16,18,20(28),21,23,25-tetradecaene-9,9'-fluorene]

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC2=C3C(=C1)C=CC4=C3C(=C(C=C4NC5=CC=CC=C5F)NC6=CC=CC=C6F)C=C2

DOS

IR

Vibrations