Geometry & MOs

Info

ID:

166760

PubChem CID:

74731109

Reduced:

ClN3O3H19C21 (1)

Stoich.:

AB3C3D19E21 (1)

Weight, g/mol:

459.228382

ΔHf, kcal/mol:

-49.18

Dipole, Da:

18.1

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.025833

Charge, e:

 1

Chem-info

IUPAC name:

2-(4-benzoylphenoxy)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N(CC3(C2)C(=NC(=O)N(C3=O)C4=CC(=C(C=C4)C)Cl)[O-])C

DOS

IR

Vibrations