Geometry & MOs

Info

ID:

165014

PubChem CID:

74485238

Reduced:

N2O3C20H25 (1)

Stoich.:

A2B3C20D25 (1)

Weight, g/mol:

371.197082

ΔHf, kcal/mol:

-57.2

Dipole, Da:

4.99

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.779079

Charge, e:

 1

Chem-info

IUPAC name:

2-(2-phenylpyrrolidin-1-ium-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)NC(=O)C[NH+]2CCCC2C3=CC=CC=C3)OC

DOS

IR

Vibrations