Geometry & MOs

Info

ID:

178826

PubChem CID:

76385963

Reduced:

N5O5H21C22 (1)

Stoich.:

A5B5C21D22 (1)

Weight, g/mol:

773.426273

ΔHf, kcal/mol:

-32.59

Dipole, Da:

5.94

IP(EA), eV:

 -8.86(-2.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-(3-fluorophenyl)-2,3-bis[2-[(1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl)oxy]ethyl]guanidine

Drug info:

PubChemData

Smile

C1CCN(CC1)CN2C3=C(C=C(C=C3)NC(=O)N=CC4=CC=C(C=C4)[N+](=O)[O-])C(=O)C2=O

DOS

IR

Vibrations