Geometry & MOs

Info

ID:

165420

PubChem CID:

74547907

Reduced:

N2O3C19H27 (1)

Stoich.:

A2B3C19D27 (1)

Weight, g/mol:

387.264768

ΔHf, kcal/mol:

-68.96

Dipole, Da:

2.97

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.130249

Charge, e:

 1

Chem-info

IUPAC name:

2-(4-ethoxy-3-methoxyphenyl)-5,7-di(propan-2-yl)-1-aza-3-azoniatricyclo[3.3.1.13,7]decan-6-one

Drug info:

PubChemData

Smile

CCC12C[NH+]3CC(C1=O)(CN(C2)C3C4=CC(=C(C=C4)OC)OC)C

DOS

IR

Vibrations