Geometry & MOs

Info

ID:

314465

PubChem CID:

126621868

Reduced:

SN2H34C49 (1)

Stoich.:

AB2C34D49 (1)

Weight, g/mol:

768.350449

ΔHf, kcal/mol:

196.73

Dipole, Da:

1.94

IP(EA), eV:

 -7.72(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(C2=C(C3=CC=CC=C31)C4=CC5=C(C=C4C=C2)C6=C(N5C7=CC=CC=C7)C=CC(=C6)N(C8=CC=CC=C8)C9=CC1=C(C=C9)C2=CC=CC=C2S1)C

DOS

IR

Vibrations