Geometry & MOs

Info

ID:

314462

PubChem CID:

126621865

Reduced:

ON2H36C53 (1)

Stoich.:

AB2C36D53 (1)

Weight, g/mol:

854.366099

ΔHf, kcal/mol:

184.72

Dipole, Da:

1.75

IP(EA), eV:

 -7.82(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[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]phenyl]-N-(4-phenylphenyl)naphthalen-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)N(C8=CC9=C(C=C8)C1=CC=CC=C1O9)C1=CC=CC2=CC=CC=C21)C

DOS

IR

Vibrations