Geometry & MOs

Info

ID:

180480

PubChem CID:

76639537

Reduced:

O4C23H34 (1)

Stoich.:

A4B23C34 (1)

Weight, g/mol:

505.113743

ΔHf, kcal/mol:

-184.98

Dipole, Da:

3.03

IP(EA), eV:

 -9.38(0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 2

Chem-info

IUPAC name:

19-fluoro-12,12-dimethyl-4,20-bis(trifluoromethyl)-5,6,21-triaza-24,25-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7,9,11(25),13,15,17(24),18,20,22-undecaene

Drug info:

PubChemData

Smile

C1C(C(C(C1O)CC=CCCCC=O)CCC(CCC2=CC=CC=C2)O)O

DOS

IR

Vibrations