Geometry & MOs

Info

ID:

224079

PubChem CID:

85337922

Reduced:

FO5N6C29H31 (1)

Stoich.:

AB5C6D29E31 (1)

Weight, g/mol:

564.1148

ΔHf, kcal/mol:

-168.96

Dipole, Da:

3.75

IP(EA), eV:

 -8.75(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

3-(8,20-dimethyl-8,20-diazoniapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2,4,6,8,10,12,14(19),15,17-decaen-16-yl)-1-morpholin-4-ylprop-2-en-1-one;iodide

Drug info:

PubChemData

Smile

CC(=O)NCC1CN(C(=O)O1)C2=CC(=C(C=C2)C3=CN=C(N=C3)N4CCN(CC4)C(=O)COCC5=CC=CC=C5)F

DOS

IR

Vibrations