Geometry & MOs

Info

ID:

316837

PubChem CID:

126631850

Reduced:

NOH21C33 (1)

Stoich.:

ABC21D33 (1)

Weight, g/mol:

595.23

ΔHf, kcal/mol:

106.85

Dipole, Da:

2.93

IP(EA), eV:

 -8.02(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

21-methyl-18-(9,9'-spirobi[fluorene]-2-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene

Drug info:

PubChemData

Smile

CN1C2=C(C=CC=C2C3=CC4=C(C=C3)C5=CC=CC=C5O4)C6=C1C7=CC=CC=C7C8=CC=CC=C86

DOS

IR

Vibrations