Geometry & MOs

Info

ID:

314487

PubChem CID:

126621916

Reduced:

N2H42C59 (1)

Stoich.:

A2B42C59 (1)

Weight, g/mol:

768.350449

ΔHf, kcal/mol:

233.29

Dipole, Da:

1.56

IP(EA), eV:

 -7.98(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(9,9-dimethylfluoren-2-yl)-3,3-dimethyl-22-phenyl-N-(3-phenylphenyl)-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(21),17,19-undecaen-18-amine

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C4=CC5=C(C=C4C=C3)C6=C(N5C7=CC=CC=C7)C=CC(=C6)C8=CC=C(C=C8)N(C9=CC=C(C=C9)C1=CC=CC=C1)C1=CC=CC2=CC=CC=C21)C

DOS

IR

Vibrations