Geometry & MOs

Info

ID:

165416

PubChem CID:

74547559

Reduced:

N2O2C19H29 (1)

Stoich.:

A2B2C19D29 (1)

Weight, g/mol:

387.264768

ΔHf, kcal/mol:

-61.76

Dipole, Da:

3.28

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.994894

Charge, e:

 1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)OC1=CC=C(C=C1)C2[NH+]3CC4(CN2CC(C3)(C4O)C)C

DOS

IR

Vibrations