Geometry & MOs

Info

ID:

222899

PubChem CID:

85332980

Reduced:

N2O4C37H56 (1)

Stoich.:

A2B4C37D56 (1)

Weight, g/mol:

466.213067

ΔHf, kcal/mol:

-190.28

Dipole, Da:

3.87

IP(EA), eV:

 -8.61(0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

3-(11-methoxy-8,20-dimethyl-8-aza-20-azoniapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(20),2(7),3,5,9,11,13(21),14,16,18-decaen-5-yl)-1-morpholin-4-ylprop-2-en-1-one

Drug info:

PubChemData

Smile

CCCC1=CN=C(N1)C2(CC2)C(CCCC3CCC4C3(CCCC4=CC=C5CC(CC(C5=C)O)O)C)OC(=O)C(C)(C)C

DOS

IR

Vibrations