Geometry & MOs

Info

ID:

314401

PubChem CID:

126621752

Reduced:

NOH21C38 (1)

Stoich.:

ABC21D38 (1)

Weight, g/mol:

499.193614

ΔHf, kcal/mol:

135.89

Dipole, Da:

2.73

IP(EA), eV:

 -8.06(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

22-(9,9-dimethylfluoren-2-yl)-9-oxa-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16,18,20-undecaene

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(N2C4=C5C=CC6=CC=CC7=C6C5=C(C=C7)C=C4)C=C8C(=C3)C=CC9=C8C1=CC=CC=C1O9

DOS

IR

Vibrations