Geometry & MOs

Info

ID:

447080

PubChem CID:

135280104

Reduced:

NOSH19C34 (1)

Stoich.:

ABCD19E34 (1)

Weight, g/mol:

742.298414

ΔHf, kcal/mol:

121.11

Dipole, Da:

2.44

IP(EA), eV:

 -7.72(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9,9-dimethyl-N-[4-(16-oxa-1-azahexacyclo[10.10.2.02,7.08,24.015,23.017,22]tetracosa-2,4,6,8(24),9,11,13,15(23),17,19,21-undecaen-13-yl)phenyl]-N-(4-phenylphenyl)fluoren-4-amine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C4C(=CC=C3)C(=CC5=C4N2C6=CC=CC=C6S5)C7=CC8=C(C=C7)OC9=CC=CC=C98

DOS

IR

Vibrations