Geometry & MOs

Info

ID:

314457

PubChem CID:

126621860

Reduced:

N3H47C67 (1)

Stoich.:

A3B47C67 (1)

Weight, g/mol:

768.350449

ΔHf, kcal/mol:

272.87

Dipole, Da:

1.61

IP(EA), eV:

 -7.88(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(9,9-dimethyl-22-phenyl-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-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-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)C8=CC(=CC=C8)N(C9=CC=C(C=C9)C1=CC=CC=C1)C1=CC2=C(C=C1)C1=CC=CC=C1N2C1=CC=CC=C1)C

DOS

IR

Vibrations