Geometry & MOs

Info

ID:

314456

PubChem CID:

126621859

Reduced:

NH24C32 (2)

Stoich.:

AB24C32 (2)

Weight, g/mol:

893.376999

ΔHf, kcal/mol:

226.86

Dipole, Da:

1.22

IP(EA), eV:

 -7.83(-0.89)

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-phenyl-N-(4-phenylphenyl)carbazol-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=C(C=C8)N(C9=CC1=C(C=C9)C2=CC=CC=C2C1(C)C)C1=CC=CC(=C1)C1=CC=CC=C1)C

DOS

IR

Vibrations