Geometry & MOs

Info

ID:

314440

PubChem CID:

126621821

Reduced:

NH31C40 (1)

Stoich.:

AB31C40 (1)

Weight, g/mol:

791.293663

ΔHf, kcal/mol:

125.7

Dipole, Da:

2.62

IP(EA), eV:

 -8.02(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N,9-diphenyl-N-[3-(22-phenyl-3-oxa-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-yl)phenyl]carbazol-2-amine

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)N4C5=CC=CC=C5C6=C4C=C7C(=C6)C=CC8=C7C(C9=CC=CC=C89)(C)C)C

DOS

IR

Vibrations