Geometry & MOs

Info

ID:

314439

PubChem CID:

126621806

Reduced:

NOH16C28 (2)

Stoich.:

ABC16D28 (2)

Weight, g/mol:

525.24565

ΔHf, kcal/mol:

192.65

Dipole, Da:

1.44

IP(EA), eV:

 -7.98(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

22-(9,9-dimethylfluoren-2-yl)-3,3-dimethyl-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)N(C6=C5C=C7C=CC8=C(C7=C6)C9=CC=CC=C9O8)C1=CC=CC=C1)C1=C2C=C2C(=C1)C=CC1=C2C2=CC=CC=C2O1

DOS

IR

Vibrations